SCHEMBL19301482

SCHEMBL19301482

CCC(CO)Sc1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CA3 P07451 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CYP19A1 P11511 2/20 0.34

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
SCHEMBL12112006 0.77 TSHR (0.44) CYP3A4MAPK1TSHRALDH1A1TDP1
SCHEMBL11309197 0.75 MAPK1 (0.42) CYP3A4MAPK1TSHRALDH1A1TDP1
SCHEMBL7298205 0.73 MAPK1 (0.41) CYP3A4MAPK1TSHRALDH1A1TDP1
SCHEMBL14123914 0.71 SMN1; SMN2 (0.39) CYP3A4MAPK1TSHRALDH1A1TDP1
SCHEMBL7297682 0.70 CYP3A4 (0.46) CYP3A4MAPK1TSHRALDH1A1TDP1
Alcohol SCHEMBL10901320 0.69 MEN1 (0.57) CYP3A4MAPK1TSHRALDH1A1TDP1
SCHEMBL12112007 0.69 TSHR (0.41) CYP3A4MAPK1TSHRALDH1A1TDP1
SCHEMBL12112004 0.69 MAPK1 (0.50) CYP3A4MAPK1TSHRALDH1A1TDP1
SCHEMBL4523181 0.69 SLC6A4 (0.52) CYP3A4MAPK1TSHRALDH1A1TDP1
SCHEMBL2939873 0.69 MAPK1 (0.50) CYP3A4MAPK1TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850234-B2 Pyridine derivatives as soft rock inhibitors REDX PHARMA PLC (GB) 2017-12-26 — — US disclosed
US-20170247357-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS REDX PHARMA PLC (GB) 2017-08-31 — — 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 (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-20170247357-A1 PYRIDINE DERIVATIVES AS SOFT ROCK INHIBITORS ROCK1, ROCK2, RHOT2 CYP3A4 1916/4885MAPK1 164/4885TSHR 3191/4885

“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.

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