Sugi Predict

Sugi Predict / Compounds / SCHEMBL2211359

SCHEMBL2211359

SCHEMBL2211359

COC(=O)c1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ NR4A2 P43354 2/20 0.47
▸ LMNA P02545 3/20 0.46
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CFTR P13569 1/20 0.42
▸ HSD17B10 Q99714 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
SCHEMBL8421994 0.88 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL10744853 0.84 RAB9A (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL3405509 0.84 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL3833516 0.84 SMN1; SMN2 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL28230926 0.83 MAPT (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL6551228 0.83 TSHR (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL9321923 0.83 CRHBP (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL17707773 0.83 LMNA (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL17707781 0.83 TSHR (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL206164 0.82 TSHR (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2POLB

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071411-B Method for producing nitrobenzene compound 组合化学工业株式会社 2021-08-27 — — CN disclosed
EP-3456705-B1 METHOD FOR PRODUCING NITROBENZENE COMPOUND KUMIAI CHEMICAL INDUSTRY CO (JP) 2020-12-16 — — EP disclosed
EP-3456705-A1 METHOD FOR PRODUCING NITROBENZENE COMPOUND Kumiai Chemical Industry Co., Ltd. (JP) 2019-03-20 — — EP disclosed
EP-3015451-B1 METHOD FOR PRODUCING NITROBENZENE COMPOUND KUMIAI CHEMICAL INDUSTRY CO (JP) 2018-01-17 — — EP disclosed
EP-2754651-B1 NITROBENZENE COMPOUND MANUFACTURING METHOD KUMIAI CHEMICAL INDUSTRY CO (JP) 2017-12-06 — — EP disclosed
EP-3015451-A1 METHOD FOR MANUFACTURING NITROBENZENE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2016-05-04 — — EP disclosed
US-9006477-B2 Method for producing nitrobenzene compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2015-04-14 — — US disclosed
US-20140163256-A1 METHOD FOR PRODUCING NITROBENZENE COMPOUND IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2014-06-12 — — US disclosed
CN-102574814-A Process for preparation of pyrimidinylacetonitrile derivatives and intermediates for synthesis thereof IHARA CHEMICAL IND CO 2012-07-11 — — CN disclosed
EP-2013213-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-07-27 — — EP disclosed
WO-2007130860-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-15 — — WO disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 — — US disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 — — US disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 — — US disclosed
EP-1809633-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS Brystol-Myers Squibb Company (US) 2007-07-25 — — EP disclosed
US-20060229447-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-10-12 — — US disclosed
WO-2006052378-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-18 — — WO disclosed
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-05-04 — — US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 — — US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 — — 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 (5 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-20060229447-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL KMT2A 4453/4885MEN1 1262/4885ALDH1A1 3451/4885
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL KMT2A 4453/4885MEN1 1262/4885ALDH1A1 3451/4885
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL KMT2A 4453/4885MEN1 1262/4885ALDH1A1 3451/4885
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM KMT2A 2936/4885MEN1 4592/4885ALDH1A1 2329/4885
US-20140163256-A1 METHOD FOR PRODUCING NITROBENZENE COMPOUND NOX1, NOS2, CYB5R3 KMT2A 1431/4885MEN1 3915/4885ALDH1A1 548/4885

“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.