SCHEMBL116728

SCHEMBL116728

COc1cc(N)cc(OC)c1C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
MAPK1 P28482 3/20 0.53
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.45
HTT P42858 3/20 0.44
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL14384290 0.81 KDM4E (0.53) CYP3A4MAPK1ALDH1A1LMNAHTT
SCHEMBL28171022 0.81 ALDH1A1 (0.56) CYP3A4MAPK1USP2SMN1; SMN2ALDH1A1
SCHEMBL4743848 0.80 CYP3A4 (0.66) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL12248741 0.80 CYP3A4 (0.60) CYP3A4MAPK1USP2SMN1; SMN2ALDH1A1
SCHEMBL2029772 0.80 CYP3A4 (0.78) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL17652728 0.79 ALDH1A1 (0.46) CYP3A4MAPK1USP2SMN1; SMN2ALDH1A1
SCHEMBL3930018 0.78 ALDH1A1 (0.40) CYP3A4MAPK1USP2SMN1; SMN2ALDH1A1
SCHEMBL23327352 0.78 CYP3A4 (0.53) CYP3A4MAPK1USP2SMN1; SMN2ALDH1A1
SCHEMBL5209995 0.78 CYP3A4 (0.53) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL23327273 0.78 CYP3A4 (0.53) CYP3A4MAPK1USP2SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240058480-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT THE GENERAL HOSPITAL CORPORATION 2024-02-22 US disclosed
US-11801316-B2 Cromolyn derivatives and related methods of imaging and treatment THE GENERAL HOSPITAL CORPORATION (US) 2023-10-31 US disclosed
US-11801316-B2 Cromolyn derivatives and related methods of imaging and treatment THE GENERAL HOSPITAL CORPORATION (US) 2023-10-31 US disclosed
US-11801316-B2 Cromolyn derivatives and related methods of imaging and treatment THE GENERAL HOSPITAL CORPORATION (US) 2023-10-31 US disclosed
US-11786524-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2023-10-17 US disclosed
US-11786524-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2023-10-17 US disclosed
US-11786524-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2023-10-17 US disclosed
US-11666669-B2 Cromolyn derivatives and related methods of imaging and treatment THE GENERAL HOSPITAL CORPORATION (US) 2023-06-06 US disclosed
US-11666669-B2 Cromolyn derivatives and related methods of imaging and treatment THE GENERAL HOSPITAL CORPORATION (US) 2023-06-06 US disclosed
US-11666669-B2 Cromolyn derivatives and related methods of imaging and treatment THE GENERAL HOSPITAL CORPORATION (US) 2023-06-06 US disclosed
EP-1924564-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
EP-1403251-B1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
WO-2007025899-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
WO-2007025899-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049758-A1 Urogenital disorders; incotinence; analgesics; respiratory system disorders; gastrointestinal disorders; premenstrual tension ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049758-A1 Urogenital disorders; incotinence; analgesics; respiratory system disorders; gastrointestinal disorders; premenstrual tension ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049758-A1 Urogenital disorders; incotinence; analgesics; respiratory system disorders; gastrointestinal disorders; premenstrual tension ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-6890940-B2 Bis(2-aryl-5-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-10 US disclosed
EP-1403251-A1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy KOWA CO., LTD. (JP) 2003-01-30 US 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-11801316-B2 Cromolyn derivatives and related methods of imaging and treatment PSEN1, PSEN2, CROCC CYP3A4 2901/4885MAPK1 2950/4885USP2 2230/4885
US-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy IGLV6-57, IL5, IGSF11 CYP3A4 2455/4885MAPK1 403/4885USP2 3590/4885
US-20240058480-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT PSEN1, PSEN2, CROCC CYP3A4 2867/4885MAPK1 2741/4885USP2 2321/4885
US-20070049758-A1 Urogenital disorders; incotinence; analgesics; respiratory system disorders; gastrointestinal disorders; premenstrual tension P2RX3, P2RX1, P2RX2 CYP3A4 524/4885MAPK1 2213/4885USP2 2121/4885
US-11786524-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 CYP3A4 3150/4885MAPK1 335/4885USP2 2243/4885
US-11666669-B2 Cromolyn derivatives and related methods of imaging and treatment PSEN1, PSEN2, CROCC CYP3A4 2867/4885MAPK1 2741/4885USP2 2321/4885

“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.