SCHEMBL5621133

SCHEMBL5621133

[NH]C(=O)OCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.50
KMT2A Q03164 2/20 0.50
CYP17A1 P05093 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.49
NAMPT P43490 1/20 0.44
MAPT P10636 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL4244228 0.83 KMT2A (0.53) CYP19A1KMT2ACYP17A1KDM4EPOLB
SCHEMBL4244230 0.81 POLB (0.54) CYP19A1KMT2ACYP17A1KDM4EPOLB
SCHEMBL2251568 0.80 CYP19A1 (0.42) CYP19A1NAMPTALDH1A1HSD17B10CYP3A4
SCHEMBL2945515 0.79 ALDH1A1 (0.64) CYP19A1KMT2ACYP17A1KDM4EPOLB
SCHEMBL28997377 0.79 POLB (0.53) CYP19A1KMT2ACYP17A1KDM4EPOLB
SCHEMBL3292568 0.79 ALDH1A1 (0.64) CYP19A1KMT2ACYP17A1KDM4EPOLB
SCHEMBL112785 0.79 CYP19A1 (0.50) CYP19A1KMT2ACYP17A1KDM4EPOLB
SCHEMBL1696 0.78 ALDH1A1 (0.63) KMT2AALDH1A1LMNATDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL28059064 0.78 ALDH1A1 (0.62) CYP19A1KMT2ACYP17A1KDM4EPOLB
Hydrochloric Acid SCHEMBL7601456 0.78 CYP19A1 (0.49) CYP19A1KMT2ACYP17A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032466-A1 Drug containing chymase inhibitor as the active ingredient TEIJIN PHARMA LIMITED (JP) 2007-02-08 US claimed
EP-1666067-A1 DRUG CONTAINING CHYMASE INHIBITOR AS THE ACTIVE INGREDIENT Teijin Pharma Limited (JP) 2006-06-07 EP claimed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP claimed
US-20070032466-A1 Drug containing chymase inhibitor as the active ingredient TEIJIN PHARMA LIMITED (JP) 2007-02-08 US disclosed
EP-1666067-A1 DRUG CONTAINING CHYMASE INHIBITOR AS THE ACTIVE INGREDIENT Teijin Pharma Limited (JP) 2006-06-07 EP disclosed
US-6271238-B1 USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
US-6057362-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2000-05-02 US disclosed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 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 (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-20070032466-A1 Drug containing chymase inhibitor as the active ingredient REN, SERPINB1, CMA1 CYP19A1 3259/4885KMT2A 4445/4885CYP17A1 1357/4885

“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.