SCHEMBL3580119

SCHEMBL3580119

Cn1c(-c2cc(O)c(O)c([N+](=O)[O-])c2)ccc1-c1cccnc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
MAPT P10636 7/20 0.41
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
TDP1 Q9NUW8 5/20 0.41
LMNA P02545 4/20 0.41
CASP6 P55212 3/20 0.41
PKM P14618 3/20 0.41
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
ERN1 O75460 1/20 0.39
CTSB P07858 3/20 0.39
GAA P10253 1/20 0.39
TTR P02766 1/20 0.37

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
SCHEMBL3583261 0.87 KDM4E (0.40) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL3582939 0.86 MAPT (0.46) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL28780442 0.84 DHODH (0.43) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL3591823 0.82 CRHBP (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL3584510 0.80 ALDH1A1 (0.36) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL3584080 0.80 KDM4E (0.38) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL1446808 0.80 TTR (0.37) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL3595074 0.78 MAPT (0.44) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL3583897 0.78 MEN1 (0.41) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL1448041 0.78 MAPT (0.41) KDM4EMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 US disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 US disclosed
US-8536203-B2 Pharmaceutical compounds BIAL-PORTELA & CA, S.A. (PT) 2013-09-17 US disclosed
EP-2617713-A1 New Pharmaceutical Compounds BIAL - Portela & Ca., S.A. (PT) 2013-07-24 EP disclosed
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 US disclosed
EP-2027091-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - Portela & Ca., S.A. (PT) 2009-02-25 EP disclosed
WO-2007117165-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2007-10-18 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 (2 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-20100168113-A1 Pharmaceutical Compounds PMP22, CNR2, OPRL1 KDM4E 3648/4885MAPT 310/4885ALDH1A1 1070/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 KDM4E 3648/4885MAPT 310/4885ALDH1A1 1070/4885

“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.