SCHEMBL9898684

SCHEMBL9898684

O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])c(NCC(F)F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MITF O75030 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 1/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
ABL1 P00519 2/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL9897866 0.86 MEN1 (0.48) MEN1KMT2AMITFSMN1; SMN2MAPT
SCHEMBL9899066 0.82 MEN1 (0.55) MEN1KMT2AMITFSMN1; SMN2MAPT
SCHEMBL9899289 0.81 PTGES (0.46) MEN1KMT2AMITFSMN1; SMN2CYP2C19
SCHEMBL9899286 0.81 PTGES (0.46) MEN1KMT2AMITFSMN1; SMN2CYP2C19
SCHEMBL9898758 0.76 MAPT (0.42) MEN1KMT2AMAPTHTTNPC1
SCHEMBL7127622 0.75 RORC (0.66) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL9944773 0.72 MAPT (0.52) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL9944804 0.71 MAPT (0.48) MEN1KMT2ASMN1; SMN2MAPTTDP1
SCHEMBL4933189 0.71 MERTK (0.51) MEN1KMT2AMITFSMN1; SMN2MAPT
SCHEMBL6713049 0.71 TDP1 (0.58) MEN1KMT2AMITFSMN1; SMN2MAPT

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 5 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-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
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
WO-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES MEN1 4598/4885KMT2A 3376/4885MITF 2046/4885

“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.