SCHEMBL7600769

SCHEMBL7600769

CN(CCc1ccc(NC(N)=S)cc1)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.51
BCHE P06276 4/20 0.51
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
TYR P14679 1/20 0.49
TSHR P16473 1/20 0.49
TAS2R38 P59533 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 1/20 0.46
HDAC1 Q13547 1/20 0.46
LTA4H P09960 2/20 0.46

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
SCHEMBL21485029 0.86 ACHE (0.51) ACHEBCHESIGMAR1CARM1PRMT6
SCHEMBL17545651 0.84 BCHE (0.49) ACHEBCHEALDH1A1TP53TYR
SCHEMBL7597734 0.81 POLB (0.59) ACHEALDH1A1MAPTHDAC1
SCHEMBL7598493 0.81 BCHE (0.51) ACHEBCHESIGMAR1CARM1PRMT6
SCHEMBL6680641 0.81 HRH3 (0.65) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL8402960 0.78 SIGMAR1 (0.71) ALDH1A1TSHRSIGMAR1CARM1PRMT6
SCHEMBL6960940 0.77 ACHE (0.48) ACHEBCHESIGMAR1CARM1PRMT6
SCHEMBL6681291 0.77 ALDH1A1 (0.51) ACHEBCHEALDH1A1TP53TYR
SCHEMBL7595886 0.76 ACHE (0.47) ACHEBCHESIGMAR1CARM1PRMT6
SCHEMBL12018644 0.76 SIGMAR1 (0.59) ACHEBCHESIGMAR1CARM1PRMT6

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 17 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
EP-0782567-B2 ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS ASTRA AB (SE) 2002-12-11 EP disclosed
EP-0782567-B1 ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS ASTRA AB (SE) 1999-06-30 EP disclosed
US-5721247-A Isothiourea derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1998-02-24 US disclosed
EP-0782567-A1 ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS Astra Aktiebolag (SE) 1997-07-09 EP disclosed
WO-1996009286-A1 ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS ASTRA AKTIEBOLAG (SE) 1996-03-28 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 ACHE 1004/4885BCHE 3185/4885ALDH1A1 2640/4885
US-20160199363-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH TRPA1, TRPV4, TRPV2 ACHE 1004/4885BCHE 3185/4885ALDH1A1 2640/4885
US-20170267651-A1 TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH TRPA1, TRPV4, TRPV2 ACHE 1004/4885BCHE 3185/4885ALDH1A1 2640/4885
US-11229628-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch TRPA1, TRPV4, TRPV2 ACHE 1004/4885BCHE 3185/4885ALDH1A1 2640/4885
US-11564911-B2 Small molecule dual-inhibitors of TRPV4 and TRPA1 for sanitizing and anesthetizing TRPA1, TRPV4, TRPV1 ACHE 498/4885BCHE 2668/4885ALDH1A1 1975/4885
US-10329265-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch TRPA1, TRPV4, TRPV2 ACHE 1004/4885BCHE 3185/4885ALDH1A1 2640/4885
US-20190091206-A1 SMALL MOLECULE DUAL-INHIBITORS OF TRPV4 AND TRPA1 FOR SANITIZING AND ANESTHETIZING TRPA1, TRPV4, TRPV1 ACHE 498/4885BCHE 2668/4885ALDH1A1 1975/4885
US-11014896-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch TRPA1, TRPV4, TRPV2 ACHE 1004/4885BCHE 3185/4885ALDH1A1 2640/4885

“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.