SCHEMBL21979009

SCHEMBL21979009

Cc1cc(=O)n(C)c2cc(Cl)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.61
KDM4E B2RXH2 3/20 0.61
KAT2B Q92831 1/20 0.55
ALDH1A1 P00352 2/20 0.51
ALOX15 P16050 2/20 0.51
TSHR P16473 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
BRD9 Q9H8M2 3/20 0.50
MAT2A P31153 1/20 0.49
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
BRD7 Q9NPI1 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
NTRK1 P04629 1/20 0.46
CYP19A1 P11511 3/20 0.44

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
SCHEMBL30901294 1.00 NQO2 (0.61) NQO2KDM4EKAT2BALDH1A1ALOX15
SCHEMBL21979134 0.86 NQO2 (0.61) NQO2KDM4EKAT2BALDH1A1ALOX15
SCHEMBL30727441 0.84 MAT2A (0.50) NQO2KDM4EALDH1A1ALOX15TSHR
SCHEMBL11825468 0.81 ALDH1A1 (0.62) KDM4EALDH1A1ALOX15TSHRCYP1A2
SCHEMBL2358278 0.79 NQO2 (0.61) NQO2KDM4EKAT2BALDH1A1HSD17B10
SCHEMBL21979087 0.79 NQO2 (0.61) NQO2KDM4EKAT2BALDH1A1HSD17B10
SCHEMBL9869325 0.79 KDM4E (0.61) NQO2KDM4EKAT2BALDH1A1CYP1A2
SCHEMBL30901328 0.79 NQO2 (0.61) NQO2KDM4EKAT2BALDH1A1HSD17B10
SCHEMBL18056960 0.79 NQO2 (0.61) NQO2KDM4EKAT2BALDH1A1HSD17B10
SCHEMBL31507122 0.77 NTRK1 (0.45) KDM4EKAT2BALDH1A1ALOX15TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 EP disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 CN disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
CN-112969504-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2021-06-15 CN disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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 (3 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 NQO2 3242/4885KDM4E 1442/4885KAT2B 1149/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 NQO2 2660/4885KDM4E 1209/4885KAT2B 1127/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 NQO2 3242/4885KDM4E 1442/4885KAT2B 1149/4885

“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.