SCHEMBL19174265

SCHEMBL19174265

Cc1nc(C)c(C(=O)Nc2ccc3sc(-c4ccc(F)c(F)c4)nc3c2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.52
RAB9A P51151 9/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
TP53 P04637 2/20 0.50
RECQL P46063 1/20 0.48
BACE1 P56817 1/20 0.47
CASP3 P42574 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
F10 P00742 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 8/20 0.43
POLB P06746 3/20 0.43

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
SCHEMBL19174365 0.82 DYRK1A (0.58) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL19174362 0.80 BACE1 (0.45) TRPV1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL19174480 0.78 TRPV1 (0.42) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL4384186 0.78 TRPV1 (0.81) TRPV1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL19174346 0.78 KMT2A (0.56) TRPV1RAB9ANPC1SMN1; SMN2BACE1
SCHEMBL19174231 0.77 NAMPT (0.46) TRPV1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL19174343 0.77 BACE1 (0.42) TRPV1RAB9ANPC1SMN1; SMN2BACE1
SCHEMBL5803314 0.76 TRPV1 (0.69) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL19174003 0.75 KDM4E (0.55) RAB9ASMN1; SMN2CASP3SENP7ALDH1A1
SCHEMBL19174230 0.74 KDM4E (0.56) RAB9ANPC1SMN1; SMN2RECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof UNIVERSITY OF WASHINGTON (US) 2019-09-03 US disclosed
US-20190031649-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-01-31 US disclosed
WO-2017127627-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-07-27 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 (2 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-20190031649-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF TSPO, GBA1, NLN TRPV1 2255/4885RAB9A 829/4885NPC1 119/4885
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof TSPO, GBA1, NLN TRPV1 2255/4885RAB9A 829/4885NPC1 119/4885

“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.