SCHEMBL2588477

SCHEMBL2588477

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

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.67
▸ LOXL2 Q9Y4K0 1/20 0.59
▸ KCNJ1 P48048 4/20 0.58
▸ KCNH2 Q12809 4/20 0.58
▸ HRH3 Q9Y5N1 1/20 0.55
▸ IDO1 P14902 2/20 0.53
▸ CYP2C19 P33261 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ CYP19A1 P11511 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C9 P11712 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
SCHEMBL18045583 0.90 TSHR (0.60) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL3292782 0.88 TSHR (0.75) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL18045549 0.88 TSHR (0.58) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL250472 0.86 TSHR (0.67) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL300767 0.86 LOXL2 (0.64) TSHRLOXL2KCNJ1KCNH2IDO1
SCHEMBL18913824 0.84 TSHR (0.69) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL30758863 0.84 TSHR (0.69) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL173192 0.84 LOXL2 (0.61) TSHRLOXL2KCNJ1KCNH2IDO1
SCHEMBL7317557 0.83 TSHR (0.62) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL8094543 0.82 POLB (0.68) TSHRLOXL2KCNJ1KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239354-A2 2,2-Dinitrophenylethane derivatives and their application as protecting compounds Wendstone Chemicals P.L.C. (GB) 1987-09-30 — — EP claimed
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 — — CN disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 — — US disclosed
EP-2994470-B1 PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2018-04-18 — — EP disclosed
US-9630963-B2 Quinolone derivatives as fibroblast growth factor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-04-25 — — US disclosed
US-9527830-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2016-12-27 — — US disclosed
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES. LTD. (JP) 2016-09-15 — — US disclosed
EP-2755656-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-07 — — EP disclosed
CN-105683155-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2016-06-15 — — CN disclosed
EP-2771005-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-05-18 — — EP disclosed
US-6177444-B1 ANTIISCHEMIC AGENTS; ANTIARRHYTHMIA AGENTS MEDCO CORP. 2001-01-23 — — US disclosed
US-6147250-A TREATING DISEASES MEDIATED BY VASCULAR CELL ADHESION MOLECULE-1, INCLUDING CARDIOVASCULAR AND INFLAMMATORY DISEASES; SUCCINOBUCOL ATHEROGENICS, INC. (US) 2000-11-14 — — US disclosed
US-6140496-A Precursors for deoxyribonucleotides containing non-standard nucleosides BENNER, STEVEN 2000-10-31 — — US disclosed
EP-1025106-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS Medco Research, Inc. (US) 2000-08-09 — — EP disclosed
EP-0994853-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 Atherogenics, Inc. (US) 2000-04-26 — — EP disclosed
US-5939432-A Thiophenes useful for modulating the adenosine receptor MEDCO RESEARCH, INC. (US) 1999-08-17 — — US disclosed
WO-1999021617-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS MEDCO RESEARCH, INC. (US) 1999-05-06 — — WO disclosed
WO-1998051662-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 ATHEROGENICS, INC. (US) 1998-11-19 — — WO disclosed
US-5164515-A Chemical compounds WENDSTONE CHEMICALS PLC (GB) 1992-11-17 — — US disclosed
EP-0239354-A2 2,2-Dinitrophenylethane derivatives and their application as protecting compounds Wendstone Chemicals P.L.C. (GB) 1987-09-30 — — 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 (2 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-10023530-B2 Diamine, polyamic acid, and polyimide H1-2, H1-4, H1-0 TSHR 2393/4885LOXL2 1404/4885KCNJ1 4460/4885
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE H1-4, H1-2, H1-5 TSHR 3020/4885LOXL2 1149/4885KCNJ1 4371/4885

“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.

Send feedback