SCHEMBL14949012

SCHEMBL14949012

O=C(c1cnn(-c2ccc(Cl)cc2)n1)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 4/20 0.43
HTT P42858 1/20 0.43
HTR1A P08908 1/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 3/20 0.41
GAA P10253 1/20 0.41
RAF1 P04049 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
LTC4S Q16873 1/20 0.40
ABL1 P00519 1/20 0.39

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
SCHEMBL28090523 0.78 MAPT (0.44) KMT2AKDM4EMEN1LMNAHTT
SCHEMBL15577164 0.75 RPA1 (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL5591866 0.70 HPGDS (0.69) KMT2AKDM4EMEN1LMNAHTT
SCHEMBL23354755 0.68 GABRA2 (0.54) KMT2AKDM4ELMNARAB9AALDH1A1
SCHEMBL23657627 0.67 NPSR1 (0.54) KMT2AKDM4EMEN1LMNAHTT
SCHEMBL3771410 0.67 HRH4 (0.51) KMT2AKDM4EMEN1LMNAHTT
SCHEMBL28090836 0.66 HDAC1 (0.51) KMT2AKDM4EMEN1RAB9AALDH1A1
SCHEMBL182010 0.65 CES2 (0.71) KMT2AKDM4EMEN1LMNAHTT
SCHEMBL29172948 0.65 KMT2A (0.45) KMT2AKDM4EMEN1LMNAHTT
SCHEMBL3226787 0.65 MAPT (0.82) KMT2AKDM4EMEN1LMNAHTT

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-9732050-B2 Modulators of sperm hypermotility and uses thereof HYDRA BIOSCIENCES, INC. (US) 2017-08-15 US disclosed
US-20150335622-A1 MODULATORS OF SPERM HYPERMOTILITY AND USES THEREOF HYDRA BIOSCIENCES, INC. (US) 2015-11-26 US disclosed
US-20130123310-A1 MODULATORS OF SPERM HYPERMOBILITY AND USES THEREOF HYDRA BIOSCIENCES, INC. (US) 2013-05-16 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 (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-20130123310-A1 MODULATORS OF SPERM HYPERMOBILITY AND USES THEREOF CATSPER1, SPAG5, NASP KMT2A 1636/4885KDM4E 1062/4885MEN1 2188/4885
US-20150335622-A1 MODULATORS OF SPERM HYPERMOTILITY AND USES THEREOF CATSPER1, SPAG5, ITPR3 KMT2A 1670/4885KDM4E 1219/4885MEN1 2147/4885

“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.