SCHEMBL9944834

SCHEMBL9944834

CCNc1cc(NC)c([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FADS1 O60427 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
P2RX1 P51575 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
THRB P10828 1/20 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
SCHEMBL9945002 0.87 FADS1 (0.49) EGFRMAPTALDH1A1TSHRMEN1
SCHEMBL9899351 0.87 FADS1 (0.49) EGFRMAPTALDH1A1TSHRMEN1
SCHEMBL9944848 0.84 MEN1 (0.42) EGFRMAPTALDH1A1TSHRMEN1
SCHEMBL9944732 0.83 EGFR (0.51) EGFRMAPTALDH1A1TSHRMEN1
SCHEMBL9944835 0.83 FADS1 (0.56) EGFRMAPTALDH1A1TSHRMEN1
SCHEMBL9944830 0.81 PTGES (0.47) EGFRMAPTALDH1A1TSHRMEN1
SCHEMBL10169864 0.81 EGFR (0.50) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL9898699 0.79 EGFR (0.47) EGFRMAPTALDH1A1TSHRMEN1
SCHEMBL9898506 0.78 MAPT (0.49) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL9944857 0.76 PTGES (0.48) EGFRMAPTALDH1A1MEN1KMT2A

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-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES EGFR 4542/4885MAPT 4336/4885ALDH1A1 126/4885

“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.