SCHEMBL17709263

SCHEMBL17709263

OC=CCc1ncnn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
TSHR P16473 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
P2RX7 Q99572 1/20 0.35
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 5/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL21863405 0.74 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL3594103 0.73 P2RX7 (0.59) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL19303203 0.71 ADK (0.41) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL11952909 0.70 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL10588731 0.67 CETP (0.49) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL27612871 0.65 GAA (0.50) ALDH1A1SMN1; SMN2HPGDLMNAKMT2A
SCHEMBL11316957 0.64 POLB (0.50) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL533863 0.64 POLB (0.41) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL19086854 0.64 POLB (0.41) ALDH1A1TSHRSMN1; SMN2HPGDLMNA
SCHEMBL20280414 0.64 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11331314-B2 Amine substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-17 US disclosed
US-11230540-B2 Substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-01-25 US disclosed
US-11173151-B2 Substituted triazole derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-11-16 US disclosed
EP-3700913-B1 PRODRUGS OF SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-11-10 EP disclosed
US-11149023-B2 Substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-19 US disclosed
US-20210253557-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-19 US disclosed
US-11091463-B2 Amide-substituted pyridinyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-17 US disclosed
CN-113121504-A Amide-substituted pyridyl triazole derivatives and use thereof 拜耳制药股份公司 2021-07-16 CN disclosed
CN-113105403-A Process for preparing 5-hydroxyalkyl-substituted 1-phenyl-1, 2, 4-triazole derivatives 拜耳制药股份公司 2021-07-13 CN disclosed
CN-113105403-A Process for preparing 5-hydroxyalkyl-substituted 1-phenyl-1, 2, 4-triazole derivatives 拜耳制药股份公司 2021-07-13 CN disclosed
US-20170313665-A1 HYDROXYALKYL-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-02 US disclosed
US-9771352-B2 Hydroxyalkyl-substituted phenyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-26 US disclosed
US-9771352-B2 Hydroxyalkyl-substituted phenyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-26 US disclosed
EP-3215498-A1 HYDROXYALKYL-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
EP-3215498-A1 HYDROXYALKYL-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
CN-107074783-A Hydroxyalkyl substituted phenyl triazole derivatives and uses thereof 拜耳制药股份公司 2017-08-18 CN disclosed
WO-2016071212-A1 HYDROXYALKYL-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
WO-2016071212-A1 HYDROXYALKYL-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
US-20160122325-A1 Hydroxyalkyl-substituted phenyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 US disclosed
US-20160122325-A1 Hydroxyalkyl-substituted phenyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 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 (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-11331314-B2 Amine substituted triazole derivatives and uses thereof GLS, TNNI3, NAT1 ALDH1A1 899/4885TSHR 1391/4885SMN1; SMN2 4299/4885
US-11230540-B2 Substituted triazole derivatives and uses thereof GLS, TNNI3, CYP11B2 ALDH1A1 858/4885TSHR 2036/4885SMN1; SMN2 4627/4885
US-20210253557-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF GLS, TNNI3, CYP11B2 ALDH1A1 858/4885TSHR 2036/4885SMN1; SMN2 4627/4885
US-20160122325-A1 Hydroxyalkyl-substituted phenyltriazole derivatives and uses thereof AADAC, HHAT, NAT1 ALDH1A1 555/4885TSHR 2319/4885SMN1; SMN2 4804/4885
US-20170313665-A1 HYDROXYALKYL-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF AADAC, HHAT, NAT1 ALDH1A1 555/4885TSHR 2319/4885SMN1; SMN2 4804/4885
US-11149023-B2 Substituted triazole derivatives and uses thereof GLS, TNNI3, CYP11B2 ALDH1A1 858/4885TSHR 2036/4885SMN1; SMN2 4627/4885
US-11173151-B2 Substituted triazole derivatives and uses thereof GLS, TNNI3, CYP11B2 ALDH1A1 858/4885TSHR 2036/4885SMN1; SMN2 4627/4885
US-11091463-B2 Amide-substituted pyridinyltriazole derivatives and uses thereof AADAC, GLS, PDXK ALDH1A1 1295/4885TSHR 1348/4885SMN1; SMN2 3828/4885

“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.