SCHEMBL4256302

SCHEMBL4256302

CC(C)c1ccc(Cn2ccc3c4c(NC5CC5)nc(N)nc4ccc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 15/20 0.73
▸ KDM4E B2RXH2 1/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ TP53 P04637 1/20 0.73
▸ CYP1A2 P05177 1/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ CYP2D6 P10635 1/20 0.73
▸ MAPT P10636 1/20 0.73
▸ HPGD P15428 1/20 0.73
▸ ALOX15 P16050 1/20 0.73
▸ TSHR P16473 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ HSD17B10 Q99714 1/20 0.73
▸ SLC2A1 P11166 3/20 0.50
▸ DHFR P00374 1/20 0.48

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
SCHEMBL29413913 0.85 F2R (1.00) F2RKDM4EMEN1TP53CYP1A2
SCHEMBL1760395 0.85 F2R (1.00) F2RKDM4EMEN1TP53CYP1A2
SCHEMBL35210414 0.85 F2R (1.00) F2RKDM4EMEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL29514998 0.84 F2R (0.98) F2RKDM4EMEN1TP53CYP1A2
SCHEMBL15324357 0.84 F2R (0.78) F2RKDM4EMEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL17261836 0.84 F2R (0.98) F2RKDM4EMEN1TP53CYP1A2
SCHEMBL24166414 0.82 F2R (1.00) F2RKDM4EMEN1TP53CYP1A2
Ammonia Solution, Strong SCHEMBL4256301 0.77 F2R (0.72) F2RKDM4EMEN1TP53CYP1A2
SCHEMBL29491581 0.75 F2R (1.00) F2RKDM4EMEN1TP53CYP1A2
SCHEMBL24166774 0.72 F2R (0.77) F2RKDM4EMEN1TP53CYP1A2

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-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 — — US claimed
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 — — 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-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS TNNI3, MYLK2, FABP3 F2R 8/4885KDM4E 4135/4885MEN1 4466/4885

“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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