SCHEMBL14636754

SCHEMBL14636754

c1ccc(-c2cnc(-c3cccnc3)s2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.67
CYP2A6 P11509 3/20 0.62
DCTPP1 Q9H773 1/20 0.53
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
KDM4E B2RXH2 5/20 0.50
MAPT P10636 2/20 0.50
GLA P06280 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
KDR P35968 1/20 0.44
CYP19A1 P11511 3/20 0.44
AXL P30530 1/20 0.44
PBRM1 Q86U86 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL29458592 1.00 HPGDS (0.67) HPGDSCYP2A6DCTPP1RAB9ANPC1
SCHEMBL18173959 0.90 HPGDS (0.59) HPGDSCYP2A6DCTPP1RAB9ANPC1
SCHEMBL12279413 0.85 HPGDS (0.71) HPGDSCYP2A6RAB9ANPC1KDM4E
SCHEMBL252333 0.82 HPGDS (0.57) HPGDSCYP2A6DCTPP1RAB9ANPC1
SCHEMBL29360785 0.82 HPGDS (0.57) HPGDSCYP2A6DCTPP1RAB9ANPC1
SCHEMBL17803411 0.82 HPGDS (0.68) HPGDSCYP2A6RAB9ANPC1KDM4E
SCHEMBL12278878 0.81 HPGDS (0.55) HPGDSCYP2A6RAB9ANPC1KDM4E
SCHEMBL12279056 0.81 HPGDS (0.58) HPGDSCYP2A6RAB9ANPC1KDM4E
SCHEMBL2225949 0.80 HPGDS (0.53) HPGDSCYP2A6RAB9ANPC1KDM4E
SCHEMBL20233429 0.80 CYP2A6 (0.63) HPGDSCYP2A6RAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120202196-A Substitution as fungicides benzodiazepines of (C) 巴斯夫欧洲公司 2025-06-24 CN disclosed
CN-120202195-A Substitution as fungicides benzodiazepines of (C) 巴斯夫欧洲公司 2025-06-24 CN disclosed
CN-120091993-A Use of strobilurin type compounds for combating phytopathogenic fungi comprising the amino acid substitution F129L in the mitochondrial cytochrome b protein conferring resistance to Qo inhibitor XV 巴斯夫欧洲公司 2025-06-03 CN disclosed
US-20140249024-A1 Pesticidal Methods Using Substituted 3-pyridyl Thiazole Compounds and Derivatives for Combating Animal Pests II BASF SE (DE) 2014-09-04 US disclosed
US-20140249024-A1 Pesticidal Methods Using Substituted 3-pyridyl Thiazole Compounds and Derivatives for Combating Animal Pests II BASF SE (DE) 2014-09-04 US disclosed
US-20140249024-A1 Pesticidal Methods Using Substituted 3-pyridyl Thiazole Compounds and Derivatives for Combating Animal Pests II BASF SE (DE) 2014-09-04 US disclosed
EP-2731426-A2 PESTICIDAL METHODS USING SUBSTITUTED 3-PYRIDYL THIAZOLE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS II BASF SE (DE) 2014-05-21 EP disclosed
WO-2013010947-A2 PESTICIDAL METHODS USING SUBSTITUTED 3-PYRIDYL THIAZOLE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS II BASF SE (DE) 2013-01-24 WO disclosed
WO-2013010947-A2 PESTICIDAL METHODS USING SUBSTITUTED 3-PYRIDYL THIAZOLE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS II BASF SE (DE) 2013-01-24 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 (1 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-20140249024-A1 Pesticidal Methods Using Substituted 3-pyridyl Thiazole Compounds and Derivatives for Combating Animal Pests II PTMS, PNPO, THOP1 HPGDS 3438/4885CYP2A6 1530/4885DCTPP1 2182/4885

“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.