SCHEMBL5538253

SCHEMBL5538253

CN(C(=O)Nc1cccc(SC(F)(F)F)c1)C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.71
▸ POLB P06746 2/20 0.71
▸ ATM Q13315 1/20 0.61
▸ RXFP1 Q9HBX9 2/20 0.54
▸ ABCC1 P33527 2/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ UBE2M P61081 1/20 0.45
▸ DCUN1D1 Q96GG9 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CASR P41180 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CCR5 P51681 1/20 0.43
▸ EPHX2 P34913 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
SCHEMBL5533361 0.86 POLB (0.65) RAB9APOLBATMRXFP1ABCC1
SCHEMBL5534712 0.85 RAB9A (0.64) RAB9APOLBATMABCC1KMT2A
SCHEMBL11779080 0.81 TP53 (0.62) RXFP1TP53CASR
SCHEMBL7618240 0.80 RXFP1 (0.50) RAB9APOLBRXFP1KMT2AUBE2M
SCHEMBL11599130 0.77 ATM (1.00) RAB9APOLBATMABCC1KMT2A
SCHEMBL5534327 0.75 RAB9A (0.65) RAB9APOLBATMABCC1KMT2A
SCHEMBL11738389 0.74 L3MBTL1 (0.59) RAB9APOLBRXFP1UBE2MDCUN1D1
SCHEMBL11631147 0.74 ATM (0.67) RAB9APOLBATMABCC1KMT2A
SCHEMBL7612008 0.73 KMT2A (0.60) RAB9APOLBATMRXFP1KMT2A
SCHEMBL14521785 0.73 TRPV1 (0.53) RXFP1KMT2AMEN1MAPTSMN1; 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 RAB9A 902/4885POLB 4518/4885ATM 2072/4885

“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.

Send feedback