SCHEMBL13008472

SCHEMBL13008472

CN1CCCN(Cc2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ POLB P06746 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.43
▸ CHKA P35790 6/20 0.43
▸ GAA P10253 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NR1H2 P55055 1/20 0.39
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ KIT P10721 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ CA2 P00918 1/20 0.37
▸ NCF1 P14598 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ FLT1 P17948 2/20 0.37
▸ HTR7 P34969 1/20 0.36

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
SCHEMBL1594145 0.95 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBTDP1CHKA
SCHEMBL9966080 0.91 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBTDP1GAA
SCHEMBL1594835 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBTDP1GAA
SCHEMBL15905581 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBTDP1GAA
SCHEMBL1594036 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBTDP1GAA
SCHEMBL1594222 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBGAAL3MBTL1
SCHEMBL14953395 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBTDP1GAA
SCHEMBL12620551 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EPOLBGAAL3MBTL1
SCHEMBL4244410 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBGAAL3MBTL1
SCHEMBL1594602 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EPOLBGAAL3MBTL1

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-20100317648-A1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-12-16 — — US disclosed
US-20100317648-A1 THERAPEUTIC COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2010-12-16 — — 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-20100317648-A1 THERAPEUTIC COMPOUNDS MAOB, MAOA, HTR1B ALDH1A1 455/4885KDM4E 731/4885POLB 1119/4885

“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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