SCHEMBL1024700

SCHEMBL1024700

O=[N+]([O-])c1ccc(NCCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
ALDH1A1 P00352 7/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GLA P06280 2/20 0.59
ABCG2 Q9UNQ0 1/20 0.58
HPGD P15428 3/20 0.56
ALOX12 P18054 1/20 0.56
KDM4E B2RXH2 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.53
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL11022003 0.98 MAPT (0.59) MAPTALDH1A1SMN1; SMN2GLAABCG2
Ammonia Solution, Strong SCHEMBL27496286 0.98 ABCG2 (0.61) MAPTALDH1A1SMN1; SMN2GLAABCG2
SCHEMBL9358505 0.90 MAPT (0.54) MAPTALDH1A1SMN1; SMN2GLAABCG2
SCHEMBL9358510 0.90 MAPT (0.54) MAPTALDH1A1SMN1; SMN2GLAABCG2
SCHEMBL195897 0.90 MAPT (0.55) MAPTALDH1A1SMN1; SMN2GLAABCG2
SCHEMBL9820311 0.89 ALDH1A1 (0.65) MAPTALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL9003269 0.88 MAPT (0.70) MAPTALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL7938661 0.87 ALDH1A1 (0.63) MAPTALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL13252782 0.86 MAPT (0.50) MAPTALDH1A1SMN1; SMN2GLAABCG2
SCHEMBL4953010 0.86 ALDH1A1 (0.61) MAPTALDH1A1SMN1; SMN2GLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041365-B1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2018-04-04 EP claimed
CN-104202999-B Nitro amino derivant is reduced in feedstuff the purposes of methane discharge of ruminant 帝斯曼知识产权资产管理有限公司 2016-11-16 CN claimed
EP-3041365-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2016-07-13 EP claimed
US-20160183564-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RUMINANTS, AND OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2016-06-30 US claimed
CN-105472995-A Use of feed composition for reducing methane emission in ru-minants, and/or to improve ruminant performance DSM IP ASSETS BV 2016-04-06 CN claimed
EP-2830434-B1 USE OF PARA NITRO AMINO DERIVATIVES IN FEED FOR REDUCING ME-THANE EMISSION IN RUMINANTS DSM IP ASSETS BV (NL) 2016-03-16 EP claimed
US-20150064305-A1 USE OF PARA NITRO AMINO DERIVATIVES IN FEED FOR REDUCING METH-ANE EMISSION IN RUMINANTS DSM IP ASSETS B.V. (NL) 2015-03-05 US claimed
WO-2015018726-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2015-02-12 WO claimed
EP-2830434-A1 USE OF PARA NITRO AMINO DERIVATIVES IN FEED FOR REDUCING ME-THANE EMISSION IN RUMINANTS DSM IP Assets B.V. (NL) 2015-02-04 EP claimed
CN-104202999-A Use of para nitro amino derivatives in feed for reducing me-thane emission in ruminants DSM IP ASSETS BV 2014-12-10 CN claimed
EP-1919439-A2 PROCESS FOR BLEACHING KERATIN FIBERS The Procter and Gamble Company (US) 2008-05-14 EP claimed
US-20070231283-A1 Process for bleaching keratin fibers PROCTER & GAMBLE COMPANY, THE 2007-10-04 US claimed
WO-2007026327-A2 PROCESS FOR BLEACHING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO claimed
EP-1759684-A1 Process for bleaching keratin fibers Wella Aktiengesellschaft (DE) 2007-03-07 EP claimed
WO-2006108458-A1 AGENTS FOR SIMULTANEOUSLY DYING AND LIGHTENING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-10-19 WO claimed
EP-1599177-A1 AGENT FOR SIMULTANEOUSLY DYING AND BRIGHTENING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2005-11-30 EP claimed
US-20050257328-A1 Agent for simultaneously dying and bringhtening keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2005-11-24 US claimed
WO-2004078150-A1 AGENT FOR SIMULTANEOUSLY DYING AND BRIGHTENING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO claimed
US-20020004956-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME RONDEAU CHRISTINE (FR) 2002-01-17 US claimed
EP-0303826-B1 SUBSTITUTED 2-NITRO METAPHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING KERATINOUS FIBRES AND ESPECIALLY HUMAN HAIR L'OREAL (FR) 1991-02-27 EP claimed

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-20020004956-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME KRT18, TUBB1, TUBB4B MAPT 522/4885ALDH1A1 1091/4885SMN1; SMN2 4616/4885

“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.