SCHEMBL343288

SCHEMBL343288

O=C(O)c1nc(-c2cc(F)ccc2F)n2c1CCCCC2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.48
GAA P10253 1/20 0.47
THRB P10828 6/20 0.46
RORC P51449 2/20 0.46
LMNA P02545 4/20 0.45
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.40
BLM P54132 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL344444 0.83 MCL1 (0.38) TP53THRBRORC
SCHEMBL342852 0.82 GAA (0.54) TP53GAATHRBRORCLMNA
SCHEMBL342551 0.81 RORC (0.53) TP53GAATHRBRORCLMNA
SCHEMBL343393 0.78 CNR2 (0.55) TP53GAATHRBLMNAPOLB
SCHEMBL343394 0.78 CNR2 (0.55) TP53GAATHRBLMNAPOLB
SCHEMBL343537 0.78 CNR2 (0.46) TP53GAATHRBLMNAPOLB
SCHEMBL343536 0.78 CNR2 (0.46) TP53GAATHRBLMNAPOLB
SCHEMBL10091039 0.77 CNR2 (0.56) TP53GAATHRBLMNAPOLB
SCHEMBL342860 0.77 GAA (0.74) TP53GAATHRBRORCLMNA
SCHEMBL15247969 0.74 CYP1A2 (0.41) TP53CYP1A2CYP2C9CYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
WO-2010068520-A2 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2010-06-17 WO 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-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CNR1, CNR2, HRH1 TP53 4265/4885GAA 4374/4885THRB 1101/4885

“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.