SCHEMBL1897629

SCHEMBL1897629

O=[N+]([O-])c1cc(-c2ccccc2)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
VCAM1 P19320 9/20 0.57
MAPT P10636 5/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 3/20 0.51
DHFR P00374 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL2461199 0.92 VCAM1 (0.58) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL5992360 0.90 VCAM1 (0.60) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL9251355 0.85 TSHR (0.58) CRHBPCRHR2VCAM1MAPTMEN1
SCHEMBL1901253 0.84 VCAM1 (0.53) VCAM1MAPTMEN1KMT2ALMNA
SCHEMBL9808910 0.82 MAPT (0.48) CRHBPCRHR2VCAM1MAPTMEN1
SCHEMBL1663325 0.82 CRHBP (0.63) CRHBPCRHR2MAPTMEN1KMT2A
SCHEMBL10663504 0.82 MAPT (0.66) VCAM1MAPTMEN1KMT2ALMNA
SCHEMBL14956482 0.82 VCAM1 (0.60) VCAM1ALDH1A1
SCHEMBL11672825 0.81 CRHBP (0.67) CRHBPCRHR2VCAM1MAPTMEN1
SCHEMBL2816974 0.81 CRHBP (0.61) CRHBPCRHR2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588110-B2 Heterocyclic compound and organic light emitting device comprising the same LT MATERIALS CO., LTD. (KR) 2023-02-21 US disclosed
US-20200373499-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LT MATERIALS CO., LTD. (KR) 2020-11-26 US disclosed
CN-101767018-B Loading type Pd base metal nanometer cluster catalyst, preparing method and applications thereof UNIV BEIJING 2012-06-13 CN disclosed
US-7947191-B2 Composite material composed of nanoparticles of transition metal and magnetic ferric oxide, a methode of preparing the same, and uses of the same PEIKING UNIVERSITY (CN) 2011-05-24 US disclosed
CN-101767018-A Loading type Pd base metal nanometer cluster catalyst, preparing method and applications thereof UNIV BEIJING 2010-07-07 CN disclosed
US-7671195-B2 Process for preparing dibenzothiazepine compounds ASTRAZENECA UK LIMITED (GB) 2010-03-02 US disclosed
CN-100494076-C Transition metal-magnetic ferric oxide nano-composite material, its production and uses UNIV BEIJING (CN) 2009-06-03 CN disclosed
US-20090124834-A1 COMPOSITE MATERIAL COMPOSED OF NANOPARTICLES OF TRANSITION METAL AND MAGNETIC FERRIC OXIDE, A METHODE OF PREPARING THE SAME, AND USES OF THE SAME PEIKING UNIVERSITY (KR) 2009-05-14 US disclosed
EP-1996568-A2 PROCESS FOR PREPARING DIBENZOTHIAZEPINE COMPOUNDS AstraZeneca UK Limited (GB) 2008-12-03 EP disclosed
US-7368462-B1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2008-05-06 US disclosed
US-20060173178-A1 Process for preparing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2006-08-03 US disclosed
US-7045621-B1 Process for producing dibenzothiazepine derivatives UBE INDUSTRIES, LTD. (JP) 2006-05-16 US disclosed
EP-1201663-A1 PROCESS FOR PRODUCING DIBENZOTHIAZEPINE DERIVATIVES Ube Industries, Ltd. (JP) 2002-05-02 EP disclosed
EP-0268849-B1 Poly(aminoaromatic) compounds DOW CHEMICAL CO (US) 1993-10-20 EP disclosed
US-5079275-A Polyamino compound is an amino endcapped polyether, polyester, polycarbonate, resole, hydroxybutadiene THE DOW CHEMICAL COMPANY (US) 1992-01-07 US disclosed
US-4847416-A Capping of polyols with aromatic amines THE DOW CHEMICAL COMPANY (US) 1989-07-11 US disclosed
EP-0268849-A2 Poly(aminoaromatic) compounds THE DOW CHEMICAL COMPANY (US) 1988-06-01 EP disclosed
US-4670566-A ANTIIFLAMMATORY AGENTS, ANTICOAGULANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-06-02 US disclosed
US-4259475-A FRIEDEL-CRAFTS COMPLEX CATALYST EXXON RESEARCH & ENGINEERING CO. (US) 1981-03-31 US disclosed
US-4059627-A HYDROGENATION OF CHLORINATED NITRO AROMATIC, NOBLE METAL CATALYST, THIOETHER BAYER AKTIENGESELLSCHAFT (DT) 1977-11-22 US 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 (4 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-20060173178-A1 Process for preparing dibenzothiazepine derivatives TPMT, BBOX1, NISCH CRHBP 2069/4885CRHR2 3354/4885VCAM1 2305/4885
US-20090124834-A1 COMPOSITE MATERIAL COMPOSED OF NANOPARTICLES OF TRANSITION METAL AND MAGNETIC FERRIC OXIDE, A METHODE OF PREPARING THE SAME, AND USES OF THE SAME FECH, FTO, HMOX1 CRHBP 3273/4885CRHR2 3673/4885VCAM1 3850/4885
US-11588110-B2 Heterocyclic compound and organic light emitting device comprising the same CRY1, CYP1A1, CYP1B1 CRHBP 4047/4885CRHR2 3049/4885VCAM1 3441/4885
US-20200373499-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, CYP1B1 CRHBP 4047/4885CRHR2 3049/4885VCAM1 3441/4885

“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.