Sugi Predict

Sugi Predict / Compounds / SCHEMBL838056

SCHEMBL838056

SCHEMBL838056

Cn1cc(C=O)c2cccc(Cl)c21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.54
▸ IMPDH2 P12268 1/20 0.54
▸ HTT P42858 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ PIM1 P11309 3/20 0.38
▸ PIM3 Q86V86 3/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ UBE2N P61088 1/20 0.34

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
SCHEMBL14156855 0.84 ALDH1A1 (0.59) ALDH1A1IMPDH2HTTSMN1; SMN2MEN1
SCHEMBL1093997 0.81 ALDH1A1 (0.56) ALDH1A1IMPDH2HTTSMN1; SMN2MEN1
SCHEMBL14689705 0.80 ALDH1A1 (0.40) ALDH1A1IMPDH2HTTSMN1; SMN2MEN1
SCHEMBL2599729 0.80 ALDH1A1 (0.46) ALDH1A1IMPDH2HTTSMN1; SMN2MEN1
SCHEMBL1093392 0.79 ALDH1A1 (0.54) ALDH1A1IMPDH2HTTSMN1; SMN2MEN1
SCHEMBL22955073 0.79 ALDH1A1 (0.39) ALDH1A1IMPDH2HTTSMN1; SMN2MEN1
SCHEMBL1093688 0.77 ALDH1A1 (0.51) ALDH1A1IMPDH2HTTKDM4ETDP1
SCHEMBL15902136 0.76 ALDH1A1 (0.39) ALDH1A1IMPDH2HTTSMN1; SMN2MEN1
SCHEMBL2599750 0.74 ALDH1A1 (0.39) ALDH1A1IMPDH2HTTSMN1; SMN2MEN1
SCHEMBL838182 0.74 AHR (0.51) ALDH1A1HTTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147405-A1 BICYCLIC HETEROAROMATIC UREA OR CARBAMATE COMPOUNDS FOR USE IN THERAPY EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2021-05-20 — — US disclosed
US-20210147405-A1 BICYCLIC HETEROAROMATIC UREA OR CARBAMATE COMPOUNDS FOR USE IN THERAPY EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2021-05-20 — — US disclosed
CN-111032654-A Bicyclic heteroaromatic urea or carbamate compounds for use in therapy 欧洲分子生物学实验室 2020-04-17 — — CN disclosed
EP-3081214-A2 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-10-19 — — EP disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 — — US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 — — US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 — — WO disclosed
EP-2384753-B1 Hydantoin derivatives as inhibitors of cellular necrosis BRIGHAM & WOMENS HOSPITAL (US) 2016-01-06 — — EP disclosed
US-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 — — US disclosed
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-06-14 — — US disclosed
US-20060116394-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2006-06-01 — — US disclosed
US-7049310-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-05-23 — — US disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 — — EP disclosed
EP-1560584-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-10-12 — — EP disclosed
WO-2005077344-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-08-25 — — WO disclosed
EP-1560584-A2 FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2005-08-10 — — EP disclosed
US-20050119260-A1 Inhibitors of cellular necrosis BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-06-02 — — US disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 — — WO disclosed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 — — US disclosed
WO-2003088897-A2 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-10-30 — — WO 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 (6 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 ALDH1A1 4840/4885IMPDH2 3483/4885HTT 4051/4885
US-20050119260-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD ALDH1A1 2543/4885IMPDH2 895/4885HTT 466/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 ALDH1A1 4020/4885IMPDH2 2308/4885HTT 4820/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 ALDH1A1 3962/4885IMPDH2 2362/4885HTT 4814/4885
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS TNF, AIFM1, BAD ALDH1A1 2543/4885IMPDH2 895/4885HTT 466/4885
US-20210147405-A1 BICYCLIC HETEROAROMATIC UREA OR CARBAMATE COMPOUNDS FOR USE IN THERAPY HIF1A, HIF1AN, EGLN3 ALDH1A1 1056/4885IMPDH2 380/4885HTT 902/4885

“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.