SCHEMBL31712298

SCHEMBL31712298

NCc1ccc(-c2nc3ccccc3s2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.58
▸ KDM4E B2RXH2 9/20 0.58
▸ ALDH1A1 P00352 7/20 0.58
▸ MAPT P10636 7/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ PKM P14618 1/20 0.58
▸ NPC1 O15118 11/20 0.57
▸ ATM Q13315 1/20 0.57
▸ UBE2T Q9NPD8 1/20 0.51
▸ ASIC3 Q9UHC3 1/20 0.51
▸ ILK Q13418 1/20 0.49
▸ CYP2E1 P05181 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2A6 P11509 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2B6 P20813 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL10025480 0.74 RAB9A (1.00) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL31712299 0.74 RAB9A (0.55) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL827403 0.73 RAB9A (0.67) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL19380001 0.72 APP (0.70) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL12713530 0.72 RAB9A (0.58) RAB9AKDM4EALDH1A1MAPTMEN1
Hydrogen Sulfide SCHEMBL16859912 0.71 RAB9A (0.64) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL21779833 0.71 KDM4E (0.63) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL25165795 0.71 RAB9A (0.53) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL2222770 0.70 ILK (0.60) RAB9AKDM4EALDH1A1MAPTMEN1
SCHEMBL6657577 0.69 CYP2A6 (0.67) KDM4EALDH1A1MAPTSMN1; SMN2CYP2E1

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-20250360111-A1 COMPOSITIONS OF AGPAT4 INHIBITORS AND METHODS OF USING THEREOF TO TREAT CANCER UNIV HONG KONG (CN) 2025-11-27 — — US disclosed
EP-4640682-A2 COMPOSITIONS OF AGPAT4 INHIBITORS AND METHODS OF USING THEREOF TO TREAT CANCER The University Of Hong Kong (CN) 2025-10-29 — — 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 (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-20250360111-A1 COMPOSITIONS OF AGPAT4 INHIBITORS AND METHODS OF USING THEREOF TO TREAT CANCER AGPAT2, PLAAT4, ACAT2 RAB9A 4180/4885KDM4E 1197/4885ALDH1A1 1462/4885

“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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