SCHEMBL17539705

SCHEMBL17539705

CN(CCc1ccc(Nc2ncc(-c3cccnc3)s2)cc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.55
NAMPT P43490 1/20 0.46
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
HDAC3 O15379 2/20 0.41
ABL1 P00519 2/20 0.41
PDGFRB P09619 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 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
Bromide SCHEMBL29350593 0.99 KDR (0.54) KDRNAMPTMEN1NPC1RAB9A
SCHEMBL15587693 0.82 RAB9A (0.62) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL19451200 0.80 RAB9A (0.49) MEN1NPC1RAB9AKMT2A
SCHEMBL17539710 0.80 KDR (0.60) KDRNAMPTMEN1NPC1RAB9A
SCHEMBL7236876 0.78 KDR (0.58) KDRABL1PDGFRB
SCHEMBL24225743 0.77 KDR (0.40) KDRNAMPTHDAC3ABL1PDGFRB
SCHEMBL7237730 0.77 KDR (0.56) KDRNAMPTABL1PDGFRBKIT
SCHEMBL17539298 0.76 RAB9A (0.66) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL7228017 0.76 KDR (0.60) KDRABL1PDGFRBKITFLT3
SCHEMBL7230509 0.75 KDR (0.56) KDRNAMPTABL1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11058707-B2 Methods for treating ischemic heart disease by targeting TRPV4 NORTHEAST OHIO MEDICAL UNIVERSITY (US) 2021-07-13 US claimed
US-11564911-B2 Small molecule dual-inhibitors of TRPV4 and TRPA1 for sanitizing and anesthetizing DUKE UNIVERSITY (US) 2023-01-31 US disclosed
US-11229628-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch DUKE UNIVERSITY (US) 2022-01-25 US disclosed
US-11058707-B2 Methods for treating ischemic heart disease by targeting TRPV4 NORTHEAST OHIO MEDICAL UNIVERSITY (US) 2021-07-13 US disclosed
US-11014896-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch DUKE UNIVERSITY (US) 2021-05-25 US disclosed
US-20190315700-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH DUKE UNIVERSITY 2019-10-17 US disclosed
US-10329265-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch DUKE UNIVERSITY (US) 2019-06-25 US disclosed
US-20190091206-A1 SMALL MOLECULE DUAL-INHIBITORS OF TRPV4 AND TRPA1 FOR SANITIZING AND ANESTHETIZING DUKE UNIVERSITY 2019-03-28 US disclosed
WO-2017177200-A1 SMALL MOLECULE DUAL-INHIBITORS OF TRPV4 AND TRPA1 FOR SANITIZING AND ANESTHETIZING DUKE UNIVERSITY (US) 2017-10-12 WO disclosed
US-20170267651-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH DUKE UNIVERSITY 2017-09-21 US disclosed
US-20170267651-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH DUKE UNIVERSITY 2017-09-21 US disclosed
US-20160199363-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH DUKE UNIVERSITY 2016-07-14 US disclosed
US-20160199363-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH DUKE UNIVERSITY 2016-07-14 US disclosed
WO-2016028325-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH DUKE UNIVERSITY (US) 2016-02-25 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 (8 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-20190315700-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH TRPA1, TRPV4, TRPV2 KDR 2432/4885NAMPT 657/4885MEN1 4720/4885
US-20160199363-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH TRPA1, TRPV4, TRPV2 KDR 2432/4885NAMPT 657/4885MEN1 4720/4885
US-20170267651-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH TRPA1, TRPV4, TRPV2 KDR 2432/4885NAMPT 657/4885MEN1 4720/4885
US-11229628-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch TRPA1, TRPV4, TRPV2 KDR 2432/4885NAMPT 657/4885MEN1 4720/4885
US-11564911-B2 Small molecule dual-inhibitors of TRPV4 and TRPA1 for sanitizing and anesthetizing TRPA1, TRPV4, TRPV1 KDR 2359/4885NAMPT 1466/4885MEN1 4823/4885
US-10329265-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch TRPA1, TRPV4, TRPV2 KDR 2432/4885NAMPT 657/4885MEN1 4720/4885
US-20190091206-A1 SMALL MOLECULE DUAL-INHIBITORS OF TRPV4 AND TRPA1 FOR SANITIZING AND ANESTHETIZING TRPA1, TRPV4, TRPV1 KDR 2359/4885NAMPT 1466/4885MEN1 4823/4885
US-11014896-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch TRPA1, TRPV4, TRPV2 KDR 2432/4885NAMPT 657/4885MEN1 4720/4885

“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.