SCHEMBL3030714

SCHEMBL3030714

Cc1cc(Cl)ccc1-c1ccc(C=O)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
MAPT P10636 6/20 0.50
POLB P06746 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 5/20 0.48
HPGD P15428 6/20 0.46
LMNA P02545 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MCL1 Q07820 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NOTUM Q6P988 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL27330465 0.87 KDM4E (0.58) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL2321869 0.83 KDM4E (0.47) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL1728691 0.83 MAPT (0.64) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL3037013 0.81 KDM4E (0.56) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL10465016 0.81 KDM4E (0.45) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL4697667 0.80 HPGD (0.65) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL3042079 0.78 GAA (0.45) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL3036942 0.78 ALDH1A1 (0.48) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL6010140 0.77 PIK3CA (0.57) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL2560093 0.77 PPM1G (0.65) ALDH1A1MAPTPOLBMEN1KMT2A

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-8338465-B2 Cyclic carboxylic acid rhodanine derivatives for the treatment and prevention of tuberculosis CORNELL RESEARCH FOUNDATION, INC. (US) 2012-12-25 US disclosed
US-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS CORNELL RESEARCH FOUNDATION, INC. 2010-08-19 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-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS RARG, SDHA, RARS2 ALDH1A1 270/4885MAPT 3973/4885POLB 1558/4885

“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.