SCHEMBL334804

SCHEMBL334804

O=C1[N]c2ccccc2S1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
TYMS P04818 1/20 0.34
BACE1 P56817 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
BCHE P06276 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
MAOA P21397 1/20 0.31
CNR1 P21554 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL24828 0.79 TRPA1 (0.54) TRPA1BACE1L3MBTL1BCHEMEN1
SCHEMBL2511192 0.71 TRPA1 (0.42) TRPA1BACE1ALDH1A1BCHEMEN1
SCHEMBL8834254 0.71 TRPA1 (0.42) TRPA1BACE1BCHEMEN1CYP1A2
SCHEMBL9599363 0.70 VHL (0.37) L3MBTL1HPGDBCHEMEN1POLB
SCHEMBL10651476 0.67 TRPA1 (0.38) TRPA1BACE1MAOA
SCHEMBL5388076 0.67 OPRK1 (0.36) TRPA1ALDH1A1HPGDMEN1POLB
SCHEMBL5376724 0.67 TRPA1 (0.38) TRPA1BACE1KDM4EALDH1A1HPGD
Thianthrene SCHEMBL7786 0.66 BCHE (0.56) TRPA1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL21629348 0.66 BCHE (0.56) TRPA1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL30823 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024035950-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2024-02-15 WO claimed
CN-116693502-A Heterocyclic amine menin-MLL interaction inhibitor, preparation method and application thereof 成都硕德药业有限公司 2023-09-05 CN claimed
EP-3632443-B1 ANTI-TUMOR EFFECT POTENTIATOR USING A BIPHENYL COMPOUND TAIHO PHARMACEUTICAL CO LTD (JP) 2023-06-07 EP claimed
EP-3381896-B1 BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2023-01-18 EP claimed
CN-108602770-B Novel biphenyl compound or salt thereof 大鹏药品工业株式会社 2022-02-08 CN claimed
US-20210177826-A1 ANTI-TUMOR EFFECT POTENTIATOR USING NOVEL BIPHENYL COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 US claimed
US-10723742-B2 Biphenyl compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-07-28 US claimed
US-20200190175-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-06-18 US claimed
EP-3633380-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 Taiho Pharmaceutical Co., Ltd. (JP) 2020-04-08 EP claimed
EP-3632443-A1 ANTI-TUMOR EFFECT POTENTIATOR USING NOVEL BIPHENYL COMPOUND Taiho Pharmaceutical Co., Ltd. (JP) 2020-04-08 EP claimed
EP-1204323-A1 FUNGICIDES Aventis CropScience UK Limited (GB) 2002-05-15 EP claimed
US-6369074-B1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. 2002-04-09 US claimed
WO-2001011965-A1 FUNGICIDES AVENTIS CROPSCIENCE GMBH (DE) 2001-02-22 WO claimed
WO-1997043282-A2 BENZOTHIAZOLINONES AS ANTI-ASTHMATIC AGENTS KLINGE PHARMA GMBH (DE) 1997-11-20 WO claimed
US-4591590-A ANTIALLERGINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-27 US claimed
US-4581356-A HYPOTENSIVE AND ANTIULCER AGENTS; ANTICOAGULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-08 US claimed
US-4563455-A Antiulcer fused imidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-07 US claimed
EP-0125756-A2 Fused imidazole compounds, processes for the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-11-21 EP claimed
EP-0122494-A2 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-24 EP claimed
EP-0113226-A1 Benzhydrylpiperazine derivatives, processes for the preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-11 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20210177826-A1 ANTI-TUMOR EFFECT POTENTIATOR USING NOVEL BIPHENYL COMPOUND KDM1B, KDM1A, DOT1L TRPA1 3202/4885TYMS 4044/4885BACE1 1487/4885
US-10723742-B2 Biphenyl compound or salt thereof KDM1B, BMI1, HDAC1 TRPA1 1788/4885TYMS 4472/4885BACE1 1346/4885
US-20200190175-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 INMT, CARM1, KDM1B TRPA1 4871/4885TYMS 931/4885BACE1 705/4885

“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.