SCHEMBL2120168

SCHEMBL2120168

Cc1cc(I)ccc1-n1c(C)nc2ccc(O)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
HPD P32754 11/20 0.48
HSD17B10 Q99714 1/20 0.45
GLA P06280 1/20 0.43
POLB P06746 2/20 0.42

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
SCHEMBL11445400 0.80 ALDH1A1 (0.78) ALDH1A1L3MBTL1LMNAHSD17B10GLA
SCHEMBL29110416 0.80 POLB (0.58) HPDHSD17B10POLB
SCHEMBL30089886 0.77 HSD17B10 (0.72) ALDH1A1LMNAHPDHSD17B10POLB
SCHEMBL30089888 0.77 HSD17B10 (0.72) ALDH1A1LMNAHPDHSD17B10POLB
SCHEMBL29110410 0.77 HSD17B10 (0.72) ALDH1A1LMNAHPDHSD17B10POLB
SCHEMBL9954234 0.73 ALDH1A1 (0.53) ALDH1A1HPDPOLB
SCHEMBL9954358 0.73 ALDH1A1 (0.53) ALDH1A1HPDPOLB
SCHEMBL9953564 0.72 TDO2 (0.48) ALDH1A1L3MBTL1HPDGLAPOLB
SCHEMBL9952718 0.72 TDO2 (0.48) ALDH1A1L3MBTL1HPDGLAPOLB
SCHEMBL5864107 0.71 ALDH1A1 (0.53) ALDH1A1L3MBTL1LMNAHPDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095214-A1 QUINAZOLINONE LINKED PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-04-19 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-20120095214-A1 QUINAZOLINONE LINKED PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF GABRA1, CYP2C19, GABRA5 ALDH1A1 227/4885L3MBTL1 4647/4885LMNA 1814/4885

“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.