SCHEMBL23207366

SCHEMBL23207366

Nc1nc(-c2cccs2)ccc1N=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ NPC1 O15118 5/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ RAB9A P51151 7/20 0.46
▸ ADORA2A P29274 5/20 0.46
▸ ADORA1 P30542 4/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ POLB P06746 1/20 0.44

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
SCHEMBL16686134 0.78 KDM4E (0.59) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL30968903 0.78 KDM4E (0.59) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL16685892 0.72 KDM4E (0.47) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL9978534 0.71 ADORA2A (0.60) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL11909835 0.71 KDM4E (0.57) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL3164701 0.70 MEN1 (0.52) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL16438246 0.69 KDM4E (0.71) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL12963069 0.69 KCNH2 (0.64) —
SCHEMBL25546305 0.69 KMT2A (0.56) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL498897 0.68 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AMAPT

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-20210100778-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR PROMOTING NEUROGENESIS AND INHIBITING NERVE CELL DEATH THE UNIVERSITY OF IOWA 2021-04-08 — — 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-20210100778-A1 INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR PROMOTING NEUROGENESIS AND INHIBITING NERVE CELL DEATH HPGD, GCDH, DCX KDM4E 3121/4885ALDH1A1 108/4885MEN1 4843/4885

“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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