SCHEMBL14979225

SCHEMBL14979225

Cc1[nH]c2ccccc2c1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.52
CDK2 P24941 1/20 0.51
GAA P10253 3/20 0.50
LMNA P02545 1/20 0.50
VDR P11473 2/20 0.49
PKM P14618 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
CYP3A4 P08684 1/20 0.48
KRAS P01116 1/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
POLB P06746 1/20 0.46
PTGS1 P23219 2/20 0.45

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
SCHEMBL14979205 0.84 MEN1 (0.46) MEN1KMT2AMAPTGAALMNA
SCHEMBL6920607 0.80 MAPT (0.61) MEN1KMT2AMAPTGAAPKM
SCHEMBL3078541 0.79 HTT (0.57) MEN1KMT2AMAPTGAAPKM
SCHEMBL6990793 0.79 PTGS1 (0.56) MEN1KMT2AMAPTGAALMNA
SCHEMBL4443613 0.78 MAPT (0.51) MAPTGAAALDH1A1KDM4ECASP1
SCHEMBL31744696 0.78 MAPT (0.54) MAPTGAAALDH1A1KDM4ECASP1
SCHEMBL693485 0.78 PTGS1 (0.60) MEN1KMT2AMAPTGAALMNA
SCHEMBL4443609 0.77 ALDH1A1 (0.50) MAPTGAAALDH1A1KDM4ECASP1
SCHEMBL31558741 0.77 MAPT (0.53) MAPTGAAALDH1A1KDM4ECASP1
SCHEMBL18383120 0.77 MAPT (0.69) KMT2AMAPTGAALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2781508-B9 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2019-08-21 EP disclosed
EP-2781508-B1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2018-12-12 EP disclosed
US-9233098-B2 Nitrogen-containing fused ring compounds as CRTH2 antagonists KBP BIOSCIENCES CO., LTD. (CN) 2016-01-12 US disclosed
US-9233098-B2 Nitrogen-containing fused ring compounds as CRTH2 antagonists KBP BIOSCIENCES CO., LTD. (CN) 2016-01-12 US disclosed
CN-103958466-B Nitrogen-containing heterocyclic compounds as CRTH2 antagonists KBP BIOSCIENCES Co.,Ltd. (CN) 2015-11-25 CN disclosed
US-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO., LTD. (CN) 2014-10-09 US disclosed
US-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO., LTD. (CN) 2014-10-09 US disclosed
EP-2781508-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP Biosciences Co., Ltd. (CN) 2014-09-24 EP disclosed
WO-2013071880-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS 山东亨利医药科技有限责任公司 (CN) 2013-05-23 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-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, NR3C2 MEN1 1975/4885KMT2A 3872/4885MAPT 4216/4885

“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.