SCHEMBL19174231

SCHEMBL19174231

O=C(Nc1ccc2sc(-c3ccc(F)c(F)c3)nc2c1)c1cnco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
DYRK1A Q13627 4/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
SENP7 Q9BQF6 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL19174346 0.83 KMT2A (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19174343 0.80 BACE1 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19174365 0.80 DYRK1A (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19174362 0.77 BACE1 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19174265 0.77 TRPV1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19174349 0.74 NAMPT (0.37) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL19174500 0.74 KMT2A (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19174003 0.74 KDM4E (0.55) HDAC1HDAC2SENP7CASP3SENP8
SCHEMBL19174230 0.73 KDM4E (0.56) HDAC1HDAC2ALDH1A1RAB9AKDM4E
SCHEMBL19174480 0.73 TRPV1 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6

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-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof UNIVERSITY OF WASHINGTON (US) 2019-09-03 US disclosed
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
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 NAMPT 206/4885HDAC3 658/4885HDAC1 1304/4885
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof TSPO, GBA1, NLN NAMPT 206/4885HDAC3 658/4885HDAC1 1304/4885

“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.