SCHEMBL2860841

SCHEMBL2860841

O=C(Nc1nc2ccccc2s1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.55
NPC1 O15118 8/20 0.50
RAB9A P51151 8/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
SPR P35270 1/20 0.49
MAPT P10636 4/20 0.48
CNR1 P21554 1/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL6338341 0.92 ALDH1A1 (0.60) DHODHNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2853456 0.84 KMT2A (0.46) DHODHNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6332074 0.81 DHODH (0.53) DHODHNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2857034 0.80 KDM4E (0.62) NPC1RAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL2852783 0.78 TMPRSS4 (0.57)
SCHEMBL2860432 0.78 KCNMA1 (0.51) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL2850282 0.76 KDM4E (0.58) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2856134 0.76 RAB9A (0.60) NPC1RAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL5799128 0.76 TRPV1 (0.61) MAPT
SCHEMBL24695110 0.76 SPR (0.67) NPC1RAB9ASMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 DHODH 2728/4885NPC1 6/4885RAB9A 2138/4885

“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.