SCHEMBL6317745

SCHEMBL6317745

CCc1ccc(-c2noc(N)c2C(=O)NCc2ccccc2Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
PKM P14618 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CHRM4 P08173 1/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL6316409 0.89 HPGD (0.45) NPC1ALDH1A1CA1CA2CA4
SCHEMBL6322701 0.89 CA1 (0.54) NPC1ALDH1A1TSHRPKMCA1
SCHEMBL6318552 0.88 ALDH1A1 (0.50) NPC1ALDH1A1CA1CA2CA4
SCHEMBL6317726 0.88 HPGD (0.43) ALDH1A1TSHRCHRM4SMN1; SMN2LMNA
SCHEMBL6318170 0.87 ALDH1A1 (0.45) NPC1ALDH1A1TSHRPKMCA1
SCHEMBL6318110 0.86 ADORA2A (0.42) NPC1ALDH1A1CA1CA2CA4
SCHEMBL6323849 0.86 NPC1 (0.52) NPC1ALDH1A1TSHRHTTHPGD
SCHEMBL6317805 0.85 GAA (0.48) NPC1ALDH1A1CA1CA2CA4
SCHEMBL6317310 0.85 NTRK1 (0.45) CNR1CNR2
SCHEMBL6323513 0.82 ADORA1 (0.47) NPC1CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 NPC1 3741/4885ALDH1A1 4444/4885TSHR 3971/4885

“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.