SCHEMBL542089

SCHEMBL542089

O=C(Nc1cccc(C(=O)O)c1)Oc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.80
NR1H4 Q96RI1 3/20 0.62
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MITF O75030 1/20 0.60
KDM4E B2RXH2 1/20 0.60
KMT2A Q03164 3/20 0.59
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 2/20 0.58
POLB P06746 1/20 0.56
GAA P10253 1/20 0.55
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
RAD51 Q06609 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8048626 0.88 CYP1A2 (0.76) CYP1A2ALDH1A1MAPTRAB9AKDM4E
SCHEMBL1408989 0.88 CYP1A2 (0.76) CYP1A2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL2808736 0.87 CYP1A2 (0.65) CYP1A2ALDH1A1MAPTRAB9AKDM4E
SCHEMBL2813628 0.87 CYP1A2 (0.65) CYP1A2ALDH1A1MAPTRAB9AKDM4E
SCHEMBL5338173 0.85 CYP1A2 (0.76) CYP1A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL5815576 0.84 CYP1A2 (0.59) CYP1A2NR1H4ALDH1A1NPC1RAB9A
SCHEMBL30408073 0.84 LMNA (0.59) CYP1A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL5338427 0.84 CYP1A2 (0.74) CYP1A2ALDH1A1MAPTNPC1RAB9A
Phenyl Phenylcarbamate SCHEMBL272994 0.82 ALDH1A1 (0.76) CYP1A2ALDH1A1MAPTRAB9AKDM4E
SCHEMBL1569274 0.82 CYP1A2 (0.68) CYP1A2ALDH1A1MAPTKDM4EKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485179-B2 Cholecystokinin B receptor targeting for imaging and therapy PURDUE RESEARCH FOUNDATION (US) 2025-12-02 US disclosed
US-20220273803-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION 2022-09-01 US disclosed
US-11344623-B2 Cholecystokinin B receptor targeting for imaging and therapy PURDUE RESEARCH FOUNDATION (US) 2022-05-31 US disclosed
US-11344623-B2 Cholecystokinin B receptor targeting for imaging and therapy PURDUE RESEARCH FOUNDATION (US) 2022-05-31 US disclosed
US-20200384114-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION 2020-12-10 US disclosed
US-20200384114-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION 2020-12-10 US disclosed
US-10765756-B2 Cholecystokinin B receptor targeting for imaging and therapy PURDUE RESEARCH FOUNDATION (US) 2020-09-08 US disclosed
US-10765756-B2 Cholecystokinin B receptor targeting for imaging and therapy PURDUE RESEARCH FOUNDATION (US) 2020-09-08 US disclosed
US-20190076538-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION 2019-03-14 US disclosed
US-20190076538-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION 2019-03-14 US disclosed
US-20150050212-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION 2015-02-19 US disclosed
US-20150050212-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION 2015-02-19 US disclosed
WO-2013126797-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION (US) 2013-08-29 WO disclosed
WO-2013126797-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY PURDUE RESEARCH FOUNDATION (US) 2013-08-29 WO disclosed
EP-2415766-A1 METHOD FOR MANUFACTURING BENZODIAZEPINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US disclosed
EP-1234818-B1 CALCIUM SALTS OF 1,5-BENZODIAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SALTS AND DRUGS CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 2004-09-08 EP disclosed
US-6747022-B2 TREATING DIGESTIVE TRACT DISEASE RESULTING FROM EXCESSIVE SECRETION OF GASTRIC ACID ZERIA PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20030096809-A1 Calcium salts of 1,5-benzodiazepine derivatives, process for producing the salts and drugs containing the same ZERIA PHARMACEUTICAL CO., LTD. (JP) 2003-05-22 US disclosed
EP-1234818-A1 CALCIUM SALTS OF 1,5-BENZODIAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SALTS AND DRUGS CONTAINING THE SAME Zeria Pharmaceutical Co., Ltd. (JP) 2002-08-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11344623-B2 Cholecystokinin B receptor targeting for imaging and therapy CCKBR, CCKAR, GRPR CYP1A2 3972/4885NR1H4 32/4885ALDH1A1 4601/4885
US-10765756-B2 Cholecystokinin B receptor targeting for imaging and therapy CCKBR, CCKAR, GRPR CYP1A2 3972/4885NR1H4 32/4885ALDH1A1 4601/4885
US-20120010401-A1 METHOD FOR MANUFACTURING 1,5-BENZODIAZEPINE DERIVATIVE GABRA5, CYP3A5, GABRA1 CYP1A2 38/4885NR1H4 694/4885ALDH1A1 372/4885
US-20190076538-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY CCKBR, CCKAR, GRPR CYP1A2 3972/4885NR1H4 32/4885ALDH1A1 4601/4885
US-20200384114-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY CCKBR, CCKAR, GRPR CYP1A2 3972/4885NR1H4 32/4885ALDH1A1 4601/4885
US-20030096809-A1 Calcium salts of 1,5-benzodiazepine derivatives, process for producing the salts and drugs containing the same CCKBR, CCKAR, GABRB1 CYP1A2 743/4885NR1H4 235/4885ALDH1A1 2818/4885
US-12485179-B2 Cholecystokinin B receptor targeting for imaging and therapy CCKBR, CCKAR, GRPR CYP1A2 3972/4885NR1H4 32/4885ALDH1A1 4601/4885
US-20150050212-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY CCKBR, CCKAR, GRPR CYP1A2 3972/4885NR1H4 32/4885ALDH1A1 4601/4885
US-20220273803-A1 CHOLECYSTOKININ B RECEPTOR TARGETING FOR IMAGING AND THERAPY CCKBR, CCKAR, GRPR CYP1A2 3972/4885NR1H4 32/4885ALDH1A1 4601/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.