SCHEMBL12589844

SCHEMBL12589844

Cc1cc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)s2)nn1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ MCHR1 Q99705 8/20 0.40
▸ PARP1 P09874 2/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ IKBKG Q9Y6K9 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ SLC9A1 P19634 1/20 0.38
▸ JAK2 O60674 1/20 0.38

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
SCHEMBL12589838 0.87 MAPK14 (0.49) L3MBTL3ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL1596435 0.86 ALDH1A1 (0.64) L3MBTL3ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL12589839 0.85 ALDH1A1 (0.44) L3MBTL3ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL12589845 0.84 ALDH1A1 (0.40) L3MBTL3ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL12589837 0.84 ALDH1A1 (0.41) L3MBTL3ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL17624645 0.83 MAPT (0.47) L3MBTL3ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL19396257 0.83 L3MBTL3 (0.62) L3MBTL3ALDH1A1L3MBTL1
SCHEMBL12589842 0.83 SCD5 (0.46) ALDH1A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL19396275 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1RAB9AMAPK14
SCHEMBL19396258 0.80 CYP2C9 (0.51) ALDH1A1MAPK14

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-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION DART NEUROSCIENCE, LLC 2017-09-28 — — US disclosed
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 — — US disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 — — 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 (2 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-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B L3MBTL3 2677/4885ALDH1A1 602/4885L3MBTL1 2501/4885
US-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION MAOB, MAOA, HTR2B L3MBTL3 2937/4885ALDH1A1 1300/4885L3MBTL1 2981/4885

“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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