SCHEMBL5530519

SCHEMBL5530519

Cc1cc([N+](=O)[O-])ccc1NC(=S)N(C)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ ALDH1A1 P00352 6/20 0.55
▸ MAPT P10636 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ CRHBP P24387 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ HTT P42858 3/20 0.52
▸ GAA P10253 1/20 0.50
▸ ABCC1 P33527 1/20 0.50
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ TAS1R2 Q8TE23 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
SCHEMBL5531303 0.86 PKM (0.56) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL5538233 0.83 NPSR1 (0.57) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5529178 0.81 POLB (0.55) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL5538373 0.80 POLB (0.55) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL5527031 0.77 MAPT (0.56) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL5531686 0.76 ALDH1A1 (0.58) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL5535333 0.76 ALDH1A1 (0.55) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5527980 0.76 MAPT (0.71) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL27624912 0.76 MEN1 (0.61) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL5532892 0.73 ALDH1A1 (0.71) NPC1RAB9AALDH1A1MAPTSMN1; SMN2

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 POLB 4518/4885NPC1 412/4885RAB9A 902/4885

“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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