SCHEMBL31142764

SCHEMBL31142764

Cc1ccc(-c2nnc(-c3ccc4c(c3)N(Cc3ccc(Cl)cc3)C(=O)[C@@H](N)CS4(=O)=O)o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ RAB9A P51151 4/20 0.39
▸ BACE1 P56817 1/20 0.36
▸ BACE2 Q9Y5Z0 1/20 0.36
▸ MAPT P10636 6/20 0.36
▸ NPC1 O15118 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAOB P27338 2/20 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
SCHEMBL26961406 0.92 HPGD (0.42) HPGDKDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL31142817 0.91 NPC1 (0.43) HPGDKDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL29796616 0.90 RAB9A (0.35) HPGDKDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL26961203 0.90 RAB9A (0.35) HPGDKDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL26961390 0.88 HPGD (0.43) HPGDKDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL26961843 0.88 CNR2 (0.38) RAB9A
SCHEMBL26961394 0.86 RAB9A (0.35) KDM4EKMT2ARAB9AMAPTNPC1
SCHEMBL29796366 0.85 RAB9A (0.35) RAB9A
SCHEMBL26961161 0.85 KDM4E (0.41) HPGDKDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL26961323 0.85 KDM4E (0.38) HPGDKDM4ECYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 — — US claimed
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 — — 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 (1 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-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 HPGD 1872/4885KDM4E 344/4885CYP3A4 125/4885

“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.

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