SCHEMBL5534979

SCHEMBL5534979

COc1ccc(NC(=O)N(C)C2CCCCC2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCC1 P33527 2/20 0.58
▸ RAB9A P51151 5/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ KMT2A Q03164 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ ATM Q13315 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ POLB P06746 1/20 0.46

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
SCHEMBL5527031 0.85 MAPT (0.56) ABCC1RAB9ANPC1KMT2AGAA
SCHEMBL5535721 0.78 ABCC1 (0.65) ABCC1RAB9ANPC1KMT2AGAA
SCHEMBL7205438 0.78 ABCC1 (0.37) ABCC1RAB9ANPC1KMT2ATSHR
SCHEMBL7205441 0.78 ABCC1 (0.37) ABCC1RAB9ANPC1KMT2ATSHR
SCHEMBL2753348 0.75 RAB9A (0.63) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL14906226 0.75 S1PR1 (0.77) —
SCHEMBL27761097 0.74 ABCC1 (0.63) ABCC1RAB9ANPC1KMT2ATSHR
SCHEMBL27264919 0.74 HTT (0.64) ABCC1RAB9ANPC1KMT2AGAA
SCHEMBL6371005 0.73 RAB9A (0.75) RAB9ANPC1KMT2AGAAMEN1
SCHEMBL6117229 0.73 RAB9A (0.61) RAB9ANPC1KMT2ATSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 — — 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 ABCC1 2977/4885RAB9A 902/4885NPC1 412/4885

“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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