Sugi Predict

Sugi Predict / Compounds / SCHEMBL3543145

SCHEMBL3543145

SCHEMBL3543145

O=C(Cl)c1ccccc1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.46
▸ LMNA P02545 4/20 0.46
▸ CCR1 P32246 2/20 0.46
▸ CCR5 P51681 2/20 0.46
▸ CCR8 P51685 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ METAP1 P53582 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ DOHH Q9BU89 1/20 0.46
▸ P4HTM Q9NXG6 1/20 0.46
▸ GRM5 P41594 1/20 0.46
▸ GRM4 Q14833 1/20 0.45
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ KDM4C Q9H3R0 2/20 0.43
▸ ALOX15 P16050 3/20 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
SCHEMBL31447757 1.00 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
Hydrochloric Acid SCHEMBL6610315 0.98 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9202323 0.85 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30620596 0.83 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1173966 0.83 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29283674 0.82 GRM5 (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL10383776 0.81 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31249988 0.81 GRM5 (0.64) KDM4ELMNACCR1CCR5CCR8
SCHEMBL997865 0.81 GRM5 (0.64) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31249984 0.81 GRM5 (0.64) KDM4ELMNACCR1CCR5CCR8

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3341385-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2018-07-04 — — EP disclosed
CN-101998959-B Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARM INC 2013-08-28 — — CN disclosed
CN-101998959-A Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) LEAD THERAPEUTICS INC 2011-03-30 — — CN disclosed
US-7683078-B2 Arylsulfonamide derivatives as C-Jun-N-Terminal Kinases (JNK's) inhibitors LABORATOIRES SERONO S.A. (CH) 2010-03-23 — — US disclosed
US-20100029719-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS LABORATOIRES SERONO S.A. (CH) 2010-02-04 — — US disclosed
EP-1409483-B1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS SERONO LAB (CH) 2008-12-31 — — EP disclosed
US-20040248886-A1 Pharmaceutically active sulfonamide derivatives as c-jun-n-terminal kinases (jnk's) inhibitors MERCK SERONO SA (CH) 2004-12-09 — — US disclosed
EP-1409483-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2004-04-21 — — EP disclosed
EP-1021444-B1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES WYETH CORP (US) 2003-09-24 — — EP disclosed
WO-2003010164-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-02-06 — — WO disclosed
EP-1021444-A1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-26 — — EP disclosed
EP-0915876-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1999-05-19 — — EP disclosed
WO-1997049708-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS — 1998-05-22 — — WO disclosed
US-5753648-A THREATING DISEASES CAUSED BY RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-05-19 — — US disclosed
WO-1998020011-A1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-14 — — WO disclosed
WO-1997049708-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-31 — — WO disclosed
WO-1997049707-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-31 — — WO disclosed
US-5700796-A USEFUL FOR TREATING CONGESTIVE HEART FAILURE, DISEASE CONDITIONS WITH EXCESS RENAL WATER REABSORPTION AND CONDITIONS WITH INCREASED VASULAR RESISTANCE AND CORONARY VASOCONSTRICTION AMERICAN CYANAMID COMPANY (US) 1997-12-23 — — 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 (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-20040248886-A1 Pharmaceutically active sulfonamide derivatives as c-jun-n-terminal kinases (jnk's) inhibitors MAPK1, MAPK3, MAP3K2 KDM4E 4281/4885LMNA 4052/4885CCR1 794/4885
US-20100029719-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS MAPK1, MAPK3, MAP3K2 KDM4E 3758/4885LMNA 4007/4885CCR1 992/4885

“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.