SCHEMBL17539701

SCHEMBL17539701

CN(CCc1ccc(Nc2nc(-c3cccnc3)cs2)cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.67
NPC1 O15118 11/20 0.67
MAPT P10636 6/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
GAA P10253 3/20 0.67
MAPK1 P28482 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
TP53 P04637 1/20 0.67
MEN1 O00255 12/20 0.63
KMT2A Q03164 12/20 0.63
CASP3 P42574 2/20 0.63
SENP8 Q96LD8 2/20 0.63
SENP7 Q9BQF6 2/20 0.63
SENP6 Q9GZR1 2/20 0.63
PKM P14618 2/20 0.58
LMNA P02545 1/20 0.58
VCP P55072 1/20 0.58
ALDH1A1 P00352 2/20 0.56
NCOA3 Q9Y6Q9 1/20 0.54
POLB P06746 1/20 0.52

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
SCHEMBL17539298 0.90 RAB9A (0.66) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL15587693 0.87 RAB9A (0.62) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL207261 0.86 RAB9A (0.70) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL19451091 0.86 RAB9A (0.66) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL15587795 0.83 RAB9A (0.63) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL206745 0.83 MEN1 (0.70) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL206589 0.81 MEN1 (0.67) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL12297416 0.81 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL205189 0.80 MEN1 (0.66) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL19102956 0.80 RAB9A (0.58) RAB9ANPC1MAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 RAB9A 4469/4885NPC1 612/4885MAPT 1030/4885
US-20160199363-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH TRPA1, TRPV4, TRPV2 RAB9A 4469/4885NPC1 612/4885MAPT 1030/4885
US-20170267651-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH TRPA1, TRPV4, TRPV2 RAB9A 4469/4885NPC1 612/4885MAPT 1030/4885
US-11229628-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch TRPA1, TRPV4, TRPV2 RAB9A 4469/4885NPC1 612/4885MAPT 1030/4885
US-11564911-B2 Small molecule dual-inhibitors of TRPV4 and TRPA1 for sanitizing and anesthetizing TRPA1, TRPV4, TRPV1 RAB9A 3733/4885NPC1 1817/4885MAPT 1870/4885
US-10329265-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch TRPA1, TRPV4, TRPV2 RAB9A 4469/4885NPC1 612/4885MAPT 1030/4885
US-20190091206-A1 SMALL MOLECULE DUAL-INHIBITORS OF TRPV4 AND TRPA1 FOR SANITIZING AND ANESTHETIZING TRPA1, TRPV4, TRPV1 RAB9A 3733/4885NPC1 1817/4885MAPT 1870/4885
US-11014896-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch TRPA1, TRPV4, TRPV2 RAB9A 4469/4885NPC1 612/4885MAPT 1030/4885

“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.