SCHEMBL6317864

SCHEMBL6317864

NC(=O)c1c(-c2cccs2)noc1NC(=O)c1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
HSD17B10 Q99714 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
RET P07949 1/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRM5 P41594 1/20 0.38
GABRD O14764 1/20 0.37

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
SCHEMBL6316679 0.91 SMN1; SMN2 (0.55) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6315217 0.90 HTT (0.45) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6314638 0.86 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6316047 0.84 GABRD (0.47) ALDH1A1KDM4ENPC1SMN1; SMN2MEN1
SCHEMBL6316470 0.84 RAB9A (0.43) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6316533 0.83 ADCY1 (0.54) ALDH1A1KDM4ENPC1RAB9AMEN1
SCHEMBL6315892 0.82 MAPT (0.50) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6317723 0.82 KMT2A (0.53) ALDH1A1KDM4ENPC1RAB9AMEN1
SCHEMBL6316642 0.82 LMNA (0.58) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6315115 0.82 MAPT (0.57) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1

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 4444/4885KDM4E 1382/4885NPC1 3741/4885

“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.