SCHEMBL12589840

SCHEMBL12589840

Cc1cc(-c2ccc(C(=O)N3CCC(O)(c4ccccc4)CC3)s2)nn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.42
▸ LMNA P02545 3/20 0.42
▸ POLB P06746 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ SCD5 Q86SK9 1/20 0.41
▸ NR2E1 Q9Y466 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ PARP10 Q53GL7 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
SCHEMBL1593679 0.86 ALDH1A1 (0.54) CYP46A1ALDH1A1LMNAPOLBCA12
SCHEMBL19396274 0.86 ALDH1A1 (0.42) ALDH1A1LMNAPOLBRAB9ANPC1
SCHEMBL19396271 0.83 ALDH1A1 (0.41) ALDH1A1LMNARAB9ANPC1KDM4E
SCHEMBL17624645 0.81 MAPT (0.47) ALDH1A1LMNAPOLBRAB9ANPC1
SCHEMBL19396254 0.81 KMT2A (0.50) ALDH1A1LMNAPOLBRAB9ANPC1
SCHEMBL12589842 0.80 SCD5 (0.46) ALDH1A1CA12CA1CA2CA7
SCHEMBL12589838 0.78 MAPK14 (0.49) ALDH1A1LMNARAB9ANPC1KDM4E
SCHEMBL19396275 0.78 ALDH1A1 (0.43) ALDH1A1LMNAPOLBRAB9ANPC1
SCHEMBL19396258 0.78 CYP2C9 (0.51) CYP46A1ALDH1A1PKMSMN1; SMN2
SCHEMBL19396253 0.77 NPC1 (0.56) ALDH1A1LMNAPOLBRAB9ANPC1

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 CYP46A1 584/4885ALDH1A1 602/4885LMNA 3759/4885
US-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION MAOB, MAOA, HTR2B CYP46A1 2989/4885ALDH1A1 1300/4885LMNA 1625/4885

“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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