SCHEMBL342319

SCHEMBL342319

O=C(O)CSc1ccc(Cl)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CXCR2 P25025 1/20 0.49
KDM4E B2RXH2 5/20 0.49
GAA P10253 1/20 0.49
CYP3A4 P08684 1/20 0.48
PRNP P04156 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
TP53 P04637 1/20 0.46
HSD17B10 Q99714 2/20 0.43
RAB9A P51151 2/20 0.43
TYMP P19971 1/20 0.43
HPGD P15428 1/20 0.43
FFAR1 O14842 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
STK17B O94768 1/20 0.41
MAP3K8 P41279 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL343486 0.80 CXCR1 (0.54) ALDH1A1MEN1KMT2ACXCR2KDM4E
SCHEMBL30507087 0.80 CXCR1 (0.54) ALDH1A1MEN1KMT2ACXCR2KDM4E
SCHEMBL5445067 0.79 ALDH1A1 (0.65) ALDH1A1CXCR2KDM4EGAAPRNP
SCHEMBL21450909 0.79 CXCR2 (0.63) ALDH1A1KMT2ACXCR2KDM4EGAA
SCHEMBL28488328 0.77 KDM4E (0.47) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL11240410 0.75 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKDM4ETP53
SCHEMBL4032772 0.75 ALDH1A1 (0.67) ALDH1A1KMT2ACXCR2KDM4EGAA
SCHEMBL11191786 0.74 POLB (0.61) ALDH1A1MEN1KMT2ACXCR2KDM4E
SCHEMBL7920850 0.74 KDM4E (0.43) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL2348177 0.73 KDM4E (0.42) ALDH1A1MEN1KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160256447-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2016-09-08 US disclosed
US-9181219-B2 Compounds of modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2015-11-10 US disclosed
US-20140011840-A1 Compounds of Modulating TRPV3 Function HYDRA BIOSCIENCES, INC. (US) 2014-01-09 US disclosed
US-8389546-B2 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2013-03-05 US disclosed
US-20120015979-A1 Compounds for Modulating TRPV3 Function Hydra Biosciences, Inc, (US) 2012-01-19 US disclosed
US-7998980-B2 Transient Receptor Potential channel modulators; N-(2-pyridinyloxy- or 2-pyridinylthio-alkanoyl)quinolines; acute or chronic pain, sensitivity, burns, diabetic neuropathy, psoriasis, eczema, dermatitis, post-herpetic neuralgia, migraine, incontinence, fever, hot flashes, osteoarthritis; depilatories HYDRA BIOSCIENCES, INC. (US) 2011-08-16 US disclosed
US-20080146611-A1 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES INC. (US) 2008-06-19 US disclosed
WO-2008033564-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC. (US) 2008-03-20 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 (4 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-20160256447-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION TRPV3, TRPV1, TRPV4 ALDH1A1 3074/4885MEN1 4683/4885KMT2A 4347/4885
US-20120015979-A1 Compounds for Modulating TRPV3 Function TRPV3, TRPV1, TRPV4 ALDH1A1 3074/4885MEN1 4683/4885KMT2A 4347/4885
US-20140011840-A1 Compounds of Modulating TRPV3 Function TRPV3, TRPV1, TRPV4 ALDH1A1 3027/4885MEN1 4580/4885KMT2A 4507/4885
US-20080146611-A1 Compounds for modulating TRPV3 function TRPV3, TRPV1, TRPV4 ALDH1A1 3074/4885MEN1 4683/4885KMT2A 4347/4885

“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.