SCHEMBL16202034

SCHEMBL16202034

Cc1nc(-c2ccc(Cl)cc2)ns1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 1/20 0.54
NR1H4 Q96RI1 1/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
NR1H3 Q13133 3/20 0.41
NR1H2 P55055 2/20 0.41
CYP19A1 P11511 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL12112411 0.83 ADORA3 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13002819 0.80 LMNA (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL25736155 0.79 NPC1 (0.49) NPC1RAB9AADORA2AADORA1
SCHEMBL1219538 0.79 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2666453 0.79 ADORA3 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL20341648 0.78 CYP19A1 (0.48) KMT2ALMNACYP19A1MAPTTP53
SCHEMBL25735720 0.78 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12200565 0.78 CYP19A1 (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL31120321 0.78 CYP19A1 (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL20320398 0.77 ADORA3 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 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 (6 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS NPC1 4598/4885RAB9A 2926/4885SMN1; SMN2 4626/4885
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 NPC1 634/4885RAB9A 2110/4885SMN1; SMN2 2653/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 NPC1 753/4885RAB9A 2327/4885SMN1; SMN2 3486/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 NPC1 753/4885RAB9A 2327/4885SMN1; SMN2 3486/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NPC1 601/4885RAB9A 1342/4885SMN1; SMN2 2724/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NPC1 601/4885RAB9A 1342/4885SMN1; SMN2 2724/4885

“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.