SCHEMBL6315001

SCHEMBL6315001

Cc1nn(-c2ccccc2)c(C)c1-c1noc(NC(=O)c2ccccc2Cl)c1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
NR3C1 P04150 2/20 0.43
HTT P42858 2/20 0.43
GRM5 P41594 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 2/20 0.42
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
WNT3A P56704 1/20 0.40
P2RX7 Q99572 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL6321867 0.90 WNT3A (0.41) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL28751035 0.89 ALDH1A1 (0.44) ALDH1A1NR3C1HTTGRM5HSD17B10
SCHEMBL6315445 0.87 WNT3A (0.43) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL6316394 0.87 KMT2A (0.48) ALDH1A1TSHRNR3C1HTTGRM5
SCHEMBL28753391 0.85 KDM4E (0.46) ALDH1A1NR3C1HTTGRM5NPC1
SCHEMBL6316791 0.84 ALDH1A1 (0.46) ALDH1A1TSHRNR3C1HTTGRM5
SCHEMBL6316647 0.84 SMN1; SMN2 (0.40) ALDH1A1TSHRNR3C1NPC1RAB9A
SCHEMBL6318278 0.83 HTT (0.44) ALDH1A1TSHRNR3C1HTTGRM5
SCHEMBL6315832 0.83 CA1 (0.43) ALDH1A1TSHRNR3C1HTTNPC1
SCHEMBL6322626 0.83 NPC1 (0.48) ALDH1A1HTTMAPK1NPC1CYP1A2

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 ALDH1A1 4444/4885TSHR 3971/4885NR3C1 2318/4885

“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.