SCHEMBL6316005

SCHEMBL6316005

Nc1onc(-c2coc3ccccc23)c1C(=O)NCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CACNA1H O95180 1/20 0.38
AR P10275 1/20 0.38
MLLT1 Q03111 1/20 0.37
GABRA5 P31644 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
P2RX7 Q99572 1/20 0.36
GRK2 P25098 1/20 0.36
HTR4 Q13639 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35

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
SCHEMBL6316272 0.95 P2RX7 (0.42) HIF1ANPSR1ALDH1A1TSHRNPC1
SCHEMBL6323318 0.88 ALDH1A1 (0.54) ALDH1A1TSHRRAB9ANPC1
SCHEMBL6324110 0.84 MAPT (0.50) ALDH1A1TSHRRAB9ANPC1
SCHEMBL6316589 0.82 KMT2A (0.43) NPSR1ALDH1A1RAB9ANPC1GRK2
SCHEMBL6316445 0.82 MAOB (0.52) HIF1ANPSR1ALDH1A1TSHRRAB9A
SCHEMBL6320666 0.82 MAOB (0.49) HIF1ANPSR1ALDH1A1TSHRRAB9A
SCHEMBL6314864 0.81 MAOB (0.45) ALDH1A1TSHRRAB9ANPC1
SCHEMBL6322682 0.81 MAOB (0.54) HIF1AALDH1A1RAB9ANPC1
SCHEMBL6315149 0.81 RAB9A (0.45) ALDH1A1RAB9ANPC1
SCHEMBL6325219 0.81 MAOB (0.54) HIF1AALDH1A1RAB9ANPC1

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 5 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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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 HIF1A 3267/4885NPSR1 4399/4885ALDH1A1 4444/4885

“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.