SCHEMBL6421749

SCHEMBL6421749

CC(=O)/C=C/c1cnc2ccccc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.75
KDM4E B2RXH2 4/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
KMT2A Q03164 2/20 0.72
PDGFRB P09619 1/20 0.61
PDGFRA P16234 1/20 0.61
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 3/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
GLA P06280 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MGAM O43451 1/20 0.49
CYP3A4 P08684 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
SCHEMBL6421753 1.00 RAB9A (0.75) RAB9AKDM4ESMN1; SMN2KMT2APDGFRB
SCHEMBL372255 0.86 RAB9A (1.00) RAB9AKDM4ESMN1; SMN2KMT2APDGFRB
SCHEMBL17461333 0.86 RAB9A (1.00) RAB9AKDM4ESMN1; SMN2KMT2APDGFRB
SCHEMBL372256 0.86 RAB9A (1.00) RAB9AKDM4ESMN1; SMN2KMT2APDGFRB
SCHEMBL4936531 0.84 RAB9A (0.75) RAB9AKDM4ESMN1; SMN2KMT2APDGFRB
SCHEMBL5717723 0.84 RAB9A (0.75) RAB9AKDM4ESMN1; SMN2KMT2APDGFRB
Hydrochloric Acid SCHEMBL7262691 0.84 RAB9A (0.97) RAB9AKDM4ESMN1; SMN2KMT2APDGFRB
Hydrochloric Acid SCHEMBL6788092 0.84 RAB9A (0.97) RAB9AKDM4ESMN1; SMN2KMT2APDGFRB
SCHEMBL8966515 0.84 RAB9A (0.75) RAB9AKDM4ESMN1; SMN2KMT2APDGFRB
SCHEMBL8966513 0.84 RAB9A (0.75) RAB9AKDM4ESMN1; SMN2KMT2APDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040098-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-04-27 EP disclosed
US-6784190-B2 USEFUL FOR INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, TUMOR, ATHEROSCLEROSIS, INFLAMMATION, WOUND HEALING, VIRAL DISEASEDISEASE, TUMOR MERCK & CO., INC. 2004-08-31 US disclosed
US-20020010176-A1 Integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-01-24 US disclosed
US-6297249-B1 SUBSTITUTED 2-CARBOXYALKYLPYRIDINES MERCK & CO., INC. 2001-10-02 US disclosed
EP-1040098-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-10-04 EP disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US disclosed
WO-1999031061-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO 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 (1 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-20020010176-A1 Integrin receptor antagonists ITGAV, ITGB3, ADGRE5 RAB9A 838/4885KDM4E 2532/4885SMN1; SMN2 4030/4885

“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.