SCHEMBL5477117

SCHEMBL5477117

OCc1ncn(-c2cccc(Cl)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FGFR1 P11362 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41
POLB P06746 1/20 0.41
IDO1 P14902 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
TSHR P16473 1/20 0.38
BRCA1 P38398 1/20 0.38
FLT3 P36888 1/20 0.38
GSK3B P49841 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL5481570 0.86 NOTUM (0.49) NOTUMSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL21849284 0.84 NOTUM (0.47) NOTUMSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL11605245 0.81 RXRA (0.50) NOTUMSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL23975942 0.81 NOTUM (0.52) NOTUMSMN1; SMN2CYP3A4CYP2C9MGLL
SCHEMBL30225224 0.81 NOTUM (0.52) NOTUMSMN1; SMN2CYP3A4CYP2C9MGLL
SCHEMBL19402280 0.80 NOTUM (0.47) NOTUMSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL4886069 0.80 MAPT (0.47) NOTUMSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL21776830 0.79 NOTUM (0.52) NOTUM
SCHEMBL10361336 0.79 NOTUM (0.47) NOTUMSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL5481442 0.76 NOTUM (0.40) NOTUMSMN1; SMN2ALDH1A1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11230540-B2 Substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-01-25 US disclosed
US-11230540-B2 Substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-01-25 US disclosed
US-20210179590-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-06-17 US disclosed
US-20210179590-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-06-17 US disclosed
EP-3700899-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2020-09-02 EP disclosed
CN-101018779-A Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-15 CN disclosed
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists AATRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1720860-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-15 EP disclosed
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-26 US disclosed
WO-2005080379-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 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 (4 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-20210179590-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF GLS, TNNI3, CYP11B2 NOTUM 2750/4885SMN1; SMN2 4627/4885ALDH1A1 858/4885
US-11230540-B2 Substituted triazole derivatives and uses thereof GLS, TNNI3, CYP11B2 NOTUM 2750/4885SMN1; SMN2 4627/4885ALDH1A1 858/4885
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRIN3A, GRM1 NOTUM 4056/4885SMN1; SMN2 4254/4885ALDH1A1 3228/4885
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRM3, GRIK5 NOTUM 4132/4885SMN1; SMN2 2393/4885ALDH1A1 3599/4885

“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.