SCHEMBL299982

SCHEMBL299982

Cc1cc(C)n(Cc2cc(C3=CN(CC(=O)NC4CC4)C=CC3)n[nH]2)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
THRB P10828 2/20 0.34
SMYD3 Q9H7B4 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
GFER P55789 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL298106 0.80 RAB9A (0.31) ALDH1A1LMNARAB9AGAA
SCHEMBL661279 0.79 HPGD (0.37) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL286989 0.78 KDM5A (0.42) GRIN2B
SCHEMBL298420 0.77 APLNR (0.37) CRHR1KDM4EALDH1A1PKM
SCHEMBL27855099 0.74 HPGD (0.34) ALDH1A1
SCHEMBL27871915 0.73
SCHEMBL27854984 0.71 MAPT (0.34) KDM4EALDH1A1LMNARAB9AGAA
SCHEMBL287649 0.62 GRIN2B (0.38) ALDH1A1SMYD3LMNAGAAGRIN2B
SCHEMBL7810346 0.61 GRIN2B (0.36) ALDH1A1SMYD3SMN1; SMN2RAB9ANPC1
SCHEMBL661366 0.58 ALDH1A1 (0.41) KDM4EALDH1A1RAB9AGAANPC1

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
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT CRHR1 4505/4885KDM4E 2916/4885ALDH1A1 676/4885

“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.