SCHEMBL24011041

SCHEMBL24011041

COc1ccc(CNC(=O)NC2CCC(C(=O)N3CCOc4ccccc43)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.61
▸ TP53 P04637 2/20 0.61
▸ MCHR1 Q99705 4/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 6/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.49
▸ HPGD P15428 1/20 0.46
▸ LMNA P02545 3/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL26633866 0.90 THRB (0.57) THRBTP53MCHR1NPC1RAB9A
SCHEMBL24011432 0.84 MAPT (0.57) THRBTP53MCHR1NPC1RAB9A
SCHEMBL24011561 0.84 THRB (0.57) THRBTP53NPC1RAB9ASMN1; SMN2
SCHEMBL24011331 0.83 RAB9A (0.57) THRBTP53MCHR1NPC1RAB9A
SCHEMBL24011484 0.83 RAB9A (0.57) THRBTP53MCHR1NPC1RAB9A
SCHEMBL24011335 0.83 RAB9A (0.57) THRBTP53MCHR1NPC1RAB9A
SCHEMBL24011286 0.78 NPC1 (0.53) THRBTP53MCHR1NPC1RAB9A
SCHEMBL24011431 0.77 RAB9A (0.61) MCHR1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL24011436 0.76 SMN1; SMN2 (0.63) MCHR1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL24011546 0.75 NPC1 (0.68) MCHR1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — US disclosed
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 — — WO 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-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT THRB 1014/4885TP53 4796/4885MCHR1 360/4885

“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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