SCHEMBL31453066

SCHEMBL31453066

Cc1c(C(=O)O)oc2ccc(NCCCc3ccncc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MCL1 Q07820 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ GAA P10253 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.40

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
SCHEMBL31453060 0.90 NPC1 (0.54) ALDH1A1HPGDHTTSMN1; SMN2MCL1
SCHEMBL26602407 0.90 NPC1 (0.54) ALDH1A1HPGDHTTSMN1; SMN2MCL1
SCHEMBL31453044 0.87 HIF1A (0.50) ALDH1A1HPGDSMN1; SMN2MCL1KDM4E
SCHEMBL31453046 0.87 MCL1 (0.49) ALDH1A1HPGDSMN1; SMN2MCL1KDM4E
SCHEMBL31453054 0.84 KMT2A (0.48) ALDH1A1HPGDSMN1; SMN2LMNAMCL1
SCHEMBL31453037 0.82 MCL1 (0.55) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL31453040 0.82 GAA (0.48) ALDH1A1HPGDSMN1; SMN2MCL1KDM4E
SCHEMBL31453051 0.81 NPC1 (0.56) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL31453035 0.80 NPC1 (0.57) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL31453061 0.80 MCL1 (0.46) ALDH1A1HPGDSMN1; SMN2MCL1KDM4E

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-20250275958-A1 GPCR REGULATOR AND USE THEREOF Beijing Changping Laboratory (CN) 2025-09-04 — — US disclosed
EP-4512803-A1 GPCR REGULATOR AND USE THEREOF Beijing Changping Laboratory (CN) 2025-02-26 — — 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-20250275958-A1 GPCR REGULATOR AND USE THEREOF ARRB1, GPR3, GPR4 ALDH1A1 2883/4885HPGD 1719/4885HTT 3773/4885

“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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