SCHEMBL3493201

SCHEMBL3493201

CCC(c1ccccc1)n1cc(C(=O)O)c(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.40
KDM5B Q9UGL1 2/20 0.40
DCAF1 Q9Y4B6 1/20 0.39
ADORA1 P30542 1/20 0.39
ITK Q08881 2/20 0.39
CYP17A1 P05093 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL2920554 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL21854220 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL11362364 0.76 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL20027639 0.75 ALDH1A1 (0.56) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL3491684 0.71 ALDH1A1 (0.45) ALDH1A1KDM4EKDM4CKMT2ALMNA
SCHEMBL3495561 0.70 CYP17A1 (0.39) ALDH1A1KDM4EHPGDKDM4CLMNA
SCHEMBL2927479 0.69 MAPK1 (0.59) ALDH1A1L3MBTL1SMN1; SMN2ATMKMT2A
SCHEMBL4501557 0.68 ALDH1A1 (0.82) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL4265334 0.68 ALDH1A1 (0.78) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL21854207 0.67 L3MBTL1 (0.43) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 ALDH1A1 1062/4885L3MBTL1 3870/4885KDM4E 780/4885

“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.