SCHEMBL10070000

SCHEMBL10070000

C[C@@H](Oc1cccc(C(=O)O)c1)C(=O)Nc1ccc(N)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
RXFP1 Q9HBX9 1/20 0.62
POLB P06746 1/20 0.61
TSHR P16473 1/20 0.54
ATM Q13315 1/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
CRHBP P24387 2/20 0.52
CRHR2 Q13324 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 1/20 0.51
NR1H4 Q96RI1 1/20 0.46
FFAR1 O14842 1/20 0.46

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
SCHEMBL10069833 1.00 KMT2A (0.62) KMT2AMEN1RXFP1POLBTSHR
SCHEMBL10069814 0.89 KMT2A (0.57) KMT2AMEN1RXFP1POLBTSHR
SCHEMBL11437645 0.86 POLB (0.74) KMT2AMEN1RXFP1POLBTSHR
SCHEMBL321921 0.85 KMT2A (0.60) KMT2AMEN1RXFP1POLBTSHR
SCHEMBL321392 0.85 KMT2A (0.60) KMT2AMEN1RXFP1POLBTSHR
SCHEMBL21729893 0.81 POLB (0.79) KMT2AMEN1RXFP1POLBTSHR
Isophthalic Acid SCHEMBL7172817 0.76 OGG1 (0.63) KMT2AMEN1RXFP1POLBTSHR
SCHEMBL10175704 0.76 KMT2A (0.57) KMT2AMEN1RXFP1POLBALDH1A1
Isophthalic Acid SCHEMBL444942 0.76 OGG1 (0.63) KMT2AMEN1RXFP1POLBTSHR
SCHEMBL13532261 0.76 KMT2A (0.77) KMT2AMEN1RXFP1POLBTSHR

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-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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 (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-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA KMT2A 3281/4885MEN1 1274/4885RXFP1 531/4885

“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.