SCHEMBL5385289

SCHEMBL5385289

CCCONC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
LMNA P02545 1/20 0.55
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 2/20 0.52
NAAA Q02083 1/20 0.49
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL27792112 0.98 NPC1 (0.59) NPC1RAB9AHDAC3HDAC4HDAC1
Biphenyl SCHEMBL28052963 0.95 NPC1 (0.56) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL5092287 0.89 HDAC3 (0.61) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL1262591 0.88 HDAC3 (0.64) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL27853144 0.86 HDAC3 (0.67) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL5145338 0.86 HDAC3 (0.67) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL28968193 0.86 HDAC3 (0.67) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL27530055 0.86 HDAC3 (0.67) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL28973854 0.86 HDAC3 (0.67) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL28401199 0.85 NPC1 (0.61) NPC1RAB9AHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002532414-A 2002-10-02 JP claimed
EP-1140046-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2001-10-10 EP claimed
WO-2000035435-A9 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER LAMBERT CO (US) 2001-03-22 WO claimed
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 WO claimed
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
EP-3015516-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2016-05-04 EP disclosed
CN-101023057-A Certain chemicals, compositions, and methods CYTOKINETICS INC (US) 2007-08-22 CN disclosed
US-7169816-B2 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors WARNER-LAMBERT COMPANY (US) 2007-01-30 US disclosed
US-20060052608-A1 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors WARNER-LAMBERT COMPANY LLC 2006-03-09 US disclosed
US-20050049429-A1 4-Bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors BARRETT STEPHEN DOUGLAS (US) 2005-03-03 US disclosed
US-6821963-B2 PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES INHIBIT CERTAIN DUAL SPECIFICITY KINASE ENZYMES INVOLVED IN PROLIFERATIVE DISEASES SUCH AS CANCER, PSORIASIS AND RESTENOSIS; INHIBIT THE PHOSPHORYLATION OF MAP KINASE BY MEK WARNER-LAMBERT COMPANY 2004-11-23 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
US-5223384-A Multilayer; paper support, subbing and photosensitive layer KONICA CORPORATION (JP) 1993-06-29 US disclosed
EP-0183191-B1 THIENYLTHIAZOLE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-10 EP disclosed
US-4720493-A Thienylthiazole compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-01-19 US disclosed
EP-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 EP disclosed
US-4410530-A CARDIO-SELECTIVE B-RECEPTOR BLOCKING AGENTS AND STIMULANTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed
US-4195090-A ADRENERGIC BLOCKING AGENTS CIBA-GEIGY CORPORATION (US) 1980-03-25 US disclosed
US-4115575-A CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1978-09-19 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-20060052608-A1 4-bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors BRAF, MAPK1, MAPK4 NPC1 3399/4885RAB9A 1010/4885HDAC3 835/4885
US-20050049429-A1 4-Bromo or 4-iodo phenylamino benzhydroxamic acid derivatives and their use as MEK inhibitors BRAF, MAPK1, MAPK4 NPC1 3399/4885RAB9A 1010/4885HDAC3 835/4885

“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.