SCHEMBL4907928

SCHEMBL4907928

CCN(C(=O)C(F)(F)F)c1ccc(I)cc1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.35
LMNA P02545 1/20 0.35
MLYCD O95822 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DPP7 Q9UHL4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL4910833 0.74 F11 (0.44)
SCHEMBL11419068 0.72 CYP3A4 (0.33) TSHRCYP3A4LMNANPSR1
SCHEMBL8772678 0.68 MLYCD (0.46) CYP3A4MLYCDMEN1KMT2A
SCHEMBL1026816 0.67 TDP1 (0.39) NPSR1ALDH1A1
SCHEMBL9384007 0.67 FSCN1 (0.45) LMNAKMT2A
SCHEMBL31211562 0.66 ALDH1A1 (0.63) TSHRCYP3A4MLYCDMEN1KMT2A
SCHEMBL550742 0.66 IDO1 (0.33) LMNA
SCHEMBL13783445 0.66 ALDH1A1 (0.43) TSHRLMNAMEN1KMT2ANPSR1
SCHEMBL11866789 0.66 ALDH1A1 (0.39) CYP3A4LMNAMEN1KMT2ANPSR1
SCHEMBL5008854 0.66 TSHR (0.38) TSHRCYP3A4LMNAMLYCDNPSR1

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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 TSHR 1671/4885CYP3A4 597/4885LMNA 2104/4885

“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.