SCHEMBL625835

SCHEMBL625835

N#CCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.55
TSHR P16473 1/20 0.50
NAAA Q02083 1/20 0.47
FFAR1 O14842 1/20 0.47
SRD5A2 P31213 2/20 0.46
NR1H2 P55055 1/20 0.45
BAX Q07812 1/20 0.45
MAOA P21397 1/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLA2G2A P14555 1/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL11532120 0.91 L3MBTL1 (0.49) LTA4HTSHRNAAAGAAL3MBTL1
SCHEMBL20249535 0.90 LTA4H (0.50) LTA4HNAAAFFAR1SRD5A2GAA
SCHEMBL11034783 0.85 KDM4E (0.49) LTA4HTSHRFFAR1
SCHEMBL30641469 0.82 FFAR1 (0.47) LTA4HTSHRFFAR1KMT2A
SCHEMBL191669 0.82 FFAR1 (0.47) LTA4HTSHRFFAR1KMT2A
SCHEMBL8597193 0.81 AR (0.50)
SCHEMBL8596617 0.81 SMN1; SMN2 (0.56) LTA4H
SCHEMBL11036206 0.81 SRD5A2 (0.41) LTA4HNAAAFFAR1SRD5A2
3-Methoxyphenylacetonitrile SCHEMBL7135147 0.80 LTA4H (0.62) LTA4HL3MBTL1
SCHEMBL8594741 0.80 MAOB (0.59) LTA4HFFAR1MAOAGAAL3MBTL1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024174980-A1 COMPOUND CONTAINING DIHYDROPHTHALAZINE AND ALKENYL AND USE THEREOF 正大天晴药业集团股份有限公司 2024-08-29 WO disclosed
CN-116577322-A Visual nano detector and preparation method and application thereof 北京化工大学 2023-08-11 CN disclosed
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
EP-1765796-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Inc. (US) 2007-03-28 EP disclosed
WO-2006003495-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-01-12 WO disclosed
EP-0658542-B1 PROCESS FOR PRODUCING ALPHA-HYDROXYIMINOPHENYLACETONITRILE SHIONOGI & CO (JP) 1998-01-14 EP disclosed
US-5629442-A REACTION OF NITRILE WITH ALKYL NITRITE TO FORM OXIME SUBSTITUTED PHENYLACETONITRILE SHIONOGI & CO., LTD. 1997-05-13 US disclosed
WO-1997005132-A1 AMINOACYL ADENYLATE MIMICS AS NOVEL ANTIMICROBIAL AND ANTIPARASITIC AGENTS CUBIST PHARMACEUTICALS, INC. (US) 1997-02-13 WO disclosed
EP-0658542-A1 PROCESS FOR PRODUCING $g(a)-HYDROXYIMINOPHENYLACETONITRILE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed
US-4532258-A Controlling insects, mites, pests KURARAY CO., LTD. (JP) 1985-07-30 US disclosed
US-4390547-A 2,2-Dimethyl-3-(substituted ethyl)cyclopropane carboxylate pesticidal compositions and methods KURARAY CO., LTD. (JP) 1983-06-28 US disclosed
US-4299839-A Novel pesticides and pesticidal compositions cyclopropanecarboxylates and pesticidal method KURARAY CO., LTD. (JP) 1981-11-10 US disclosed
US-3984559-A Compositions comprising tetramic acid analogs of pulvinic acid and methods of combating arthritis SMITHKLINE CORPORATION (US) 1976-10-05 US disclosed
US-3947580-A Anti-arthritic compositions comprising N-heterocyclic pulvinic acid amides and methods of producing anti-arthritic activity SMITHKLINE CORPORATION (US) 1976-03-30 US disclosed
US-3931207-A ANTIARTHRITIC SMITHKLINE CORPORATION (US) 1976-01-06 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 LTA4H 468/4885TSHR 1091/4885NAAA 4220/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD LTA4H 2962/4885TSHR 400/4885NAAA 1615/4885

“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.