SCHEMBL13220182

SCHEMBL13220182

O=C1C(=Cc2ccc(-c3ccccc3)o2)SC(=S)N1Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ POLB P06746 3/20 0.67
▸ LMNA P02545 2/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ TDP1 Q9NUW8 4/20 0.58
▸ GAA P10253 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ BLM P54132 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ NSD2 O96028 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ DNMT1 P26358 1/20 0.53
▸ STAT3 P40763 1/20 0.53

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
SCHEMBL3033782 0.82 STAT3 (0.64) MAPTALDH1A1TDP1KDM4EMEN1
SCHEMBL3033780 0.82 STAT3 (0.64) MAPTALDH1A1TDP1KDM4EMEN1
SCHEMBL3036975 0.81 APEX1 (0.59) MAPTALDH1A1POLBLMNATDP1
SCHEMBL3036977 0.81 APEX1 (0.59) MAPTALDH1A1POLBLMNATDP1
SCHEMBL3122845 0.81 POLB (1.00) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL3122832 0.81 POLB (1.00) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL3122838 0.81 POLB (1.00) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL3131533 0.80 STAT3 (0.78) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL3131544 0.80 STAT3 (0.78) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL3131549 0.80 STAT3 (0.78) MAPTALDH1A1POLBLMNARAB9A

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 MAPT 3973/4885ALDH1A1 270/4885POLB 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.

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