SCHEMBL2747424

SCHEMBL2747424

[c]1ccc2c(c1)Sc1ccccc1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ BLM P54132 1/20 0.32
▸ MAOA P21397 2/20 0.30
▸ MAOB P27338 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ BCHE P06276 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL2747368 0.89 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMEN1KMT2A
Thioxanthene SCHEMBL28061456 0.83 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMEN1KMT2A
Thioxanthene SCHEMBL28289200 0.81 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EMEN1KMT2A
Thioxanthene SCHEMBL29398766 0.81 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EMEN1KMT2A
Thioxanthene SCHEMBL8717 0.81 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EMEN1KMT2A
Thioxanthene SCHEMBL28542371 0.79 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL18311802 0.79 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMEN1KMT2A
Thioxanthene SCHEMBL31106427 0.79 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMEN1KMT2A
Thioxanthene SCHEMBL28751085 0.79 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMEN1KMT2A
Thioxanthene SCHEMBL28014365 0.79 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178077-B2 Drug development target protein and target gene, and method of screening REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-05-15 — — US disclosed
US-20090233274-A1 DRUG DEVELOPMENT TARGET PROTEIN AND TARGET GENE, AND METHOD OF SCREENING REVERSE PROTEOMICS RESEARCH INSTITUTE CO. (JP) 2009-09-17 — — US disclosed
US-3981887-A Sulfoxides and sulfones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-09-21 — — 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-20090233274-A1 DRUG DEVELOPMENT TARGET PROTEIN AND TARGET GENE, AND METHOD OF SCREENING NCS1, PRSS12, TPX2 ALDH1A1 4286/4885HPGD 3875/4885KDM4E 4343/4885

“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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