SCHEMBL2645579

SCHEMBL2645579

Nc1cc(Cl)cc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.72
▸ TSHR P16473 5/20 0.72
▸ MAPT P10636 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ XBP1 P17861 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TLR9 Q9NR96 1/20 0.50
▸ MAPK1 P28482 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41

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
SCHEMBL9771595 0.89 ALDH1A1 (0.60) ALDH1A1TSHRMAPTTP53LMNA
SCHEMBL954217 0.84 ALDH1A1 (1.00) ALDH1A1TSHRMAPTTP53LMNA
SCHEMBL20536005 0.80 ALDH1A1 (0.50) ALDH1A1TSHRMAPTTP53LMNA
SCHEMBL5872583 0.79 ALDH1A1 (0.72) ALDH1A1TSHRMAPTTP53LMNA
SCHEMBL8066632 0.77 ALDH1A1 (0.75) ALDH1A1TSHRMAPK1CYP3A4GRIN2D
SCHEMBL1116034 0.76 CYP3A4 (0.58) ALDH1A1TSHRMAPTTP53LMNA
SCHEMBL11745815 0.76 ALDH1A1 (0.46) ALDH1A1TSHRMAPTTP53LMNA
SCHEMBL9771768 0.76 ALDH1A1 (0.48) ALDH1A1TSHRMAPTTP53LMNA
SCHEMBL6673368 0.76 ALDH1A1 (0.67) ALDH1A1TSHRMAPTTP53LMNA
SCHEMBL8874607 0.75 TSHR (0.59) ALDH1A1TSHRMAPTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112374996-A Preparation method of 3, 5-dichloro o-phenylenediamine 宁夏大学 2021-02-19 — — CN claimed
CN-112374996-A Preparation method of 3, 5-dichloro o-phenylenediamine 宁夏大学 2021-02-19 — — CN disclosed
EP-2848613-B1 DIAMINOARYL DERIVATIVES SUBSTITUTED BY CARBAMATE AND PESTICIDAL COMPOSITION CONTAINING SAME KYUNG NONG CORP (KR) 2016-09-21 — — EP disclosed
US-9018233-B2 Diaminoaryl derivatives substituted by carbamate and pesticidal composition containing same KYUNG NONG CORPORATION (KR) 2015-04-28 — — US disclosed
US-9018233-B2 Diaminoaryl derivatives substituted by carbamate and pesticidal composition containing same KYUNG NONG CORPORATION (KR) 2015-04-28 — — US disclosed
US-9018233-B2 Diaminoaryl derivatives substituted by carbamate and pesticidal composition containing same KYUNG NONG CORPORATION (KR) 2015-04-28 — — US disclosed
US-20150094342-A1 DIAMINOARYL DERIVATIVES SUBSTITUTED BY CARBAMATE AND PESTICIDAL COMPOSITION CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-04-02 — — US disclosed
US-20150094342-A1 DIAMINOARYL DERIVATIVES SUBSTITUTED BY CARBAMATE AND PESTICIDAL COMPOSITION CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-04-02 — — US disclosed
US-20150094342-A1 DIAMINOARYL DERIVATIVES SUBSTITUTED BY CARBAMATE AND PESTICIDAL COMPOSITION CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-04-02 — — US disclosed
EP-2848613-A1 DIAMINOARYL DERIVATIVES SUBSTITUTED BY CARBAMATE AND PESTICIDAL COMPOSITION CONTAINING SAME Kyung Nong Corporation (KR) 2015-03-18 — — EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 — — US disclosed
US-20100063282-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions, and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 — — US disclosed
US-20100063282-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions, and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 — — US disclosed
WO-2008124665-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 — — WO disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 — — US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 — — EP disclosed
WO-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 — — WO disclosed
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 disclosed
US-4863482-A FROM A TRIHALONITROBENZENE L'OREAL (FR) 1989-09-05 — — US disclosed
EP-0303826-A1 Substituted 2-nitro metaphenylene diamines, process for their preparation and their use in dyeing keratinous fibres and especially human hair L'OREAL (FR) 1989-02-22 — — EP 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 (3 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-20150094342-A1 DIAMINOARYL DERIVATIVES SUBSTITUTED BY CARBAMATE AND PESTICIDAL COMPOSITION CONTAINING SAME DDT, DDC, DPP3 ALDH1A1 2870/4885TSHR 3134/4885MAPT 2876/4885
US-20100063282-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions, and Uses Thereof NR3C1, MC2R, NR3C2 ALDH1A1 4345/4885TSHR 182/4885MAPT 242/4885
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 ALDH1A1 1188/4885TSHR 3405/4885MAPT 3676/4885

“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.

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