SCHEMBL525802

SCHEMBL525802

O=C(Oc1ccc([N+](=O)[O-])cc1)n1cnc(-c2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 2/20 0.46
RECQL P46063 1/20 0.46
DUSP3 P51452 1/20 0.46
BLM P54132 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP19A1 P11511 3/20 0.44
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
CYP2E1 P05181 2/20 0.43
CYP2A6 P11509 2/20 0.43
CYP2C9 P11712 2/20 0.43

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
SCHEMBL14946949 0.89 MAPT (0.53) MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL14946876 0.85 CYP2A6 (0.50) MAPTALDH1A1CYP19A1CYP11B1CYP11B2
SCHEMBL14950160 0.84 CYP2A6 (0.50) MAPTRAB9AKMT2ACYP2E1CYP2A6
SCHEMBL14946928 0.84 SMN1; SMN2 (0.48) MAPTALDH1A1RAB9ANPSR1CYP2C9
SCHEMBL14946927 0.81 P2RX7 (0.40) MAPTRAB9ACYP19A1SMN1; SMN2
SCHEMBL14946878 0.80 KEAP1 (0.48) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL14946948 0.79 SMN1; SMN2 (0.47) MAPTALDH1A1RAB9ANPSR1CYP2C9
SCHEMBL14946892 0.76 MAPT (0.42) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL14946891 0.74 FAAH (0.48) ALDH1A1RAB9ANPSR1MEN1KMT2A
SCHEMBL14946972 0.74 KMT2A (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606035-B1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA S A (PT) 2017-09-06 EP disclosed
EP-2606035-B1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA S A (PT) 2017-09-06 EP disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
EP-2606035-A1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & CA., S.A. (PT) 2013-06-26 EP disclosed
CN-103140478-A Process for the synthesis of substituted urea compounds BIAL PORTELA & CA SA 2013-06-05 CN disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
WO-2012015324-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2012-02-02 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-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS UTS2R, ARG1, PRMT1 MAPT 2416/4885ALDH1A1 3556/4885RAB9A 806/4885

“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.