SCHEMBL17064327

SCHEMBL17064327

CCCN(c1ccccc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
MAPT P10636 3/20 0.56
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
CRHBP P24387 1/20 0.47
ATM Q13315 1/20 0.47
CRHR2 Q13324 1/20 0.47
TLR9 Q9NR96 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL1468921 0.88 CYP1A2 (0.56) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL17064932 0.80 ACHE (0.45) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL8605670 0.79 ALDH1A1 (0.69) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL29596265 0.79 ALDH1A1 (0.69) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL12100862 0.79 ALDH1A1 (0.69) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL17064495 0.77 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ACRHBP
SCHEMBL6846910 0.77 TP53 (0.62) ALDH1A1MAPTCYP1A2CYP2C9MEN1
SCHEMBL20486417 0.77 L3MBTL1 (0.50) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL11792227 0.77 ALDH1A1 (0.54) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL2997455 0.77 KMT2A (0.56) ALDH1A1MAPTMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663636-A2 TRIFLUOROMETHYL SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2025-12-17 EP disclosed
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-28 US disclosed
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-14 US disclosed
EP-4180424-B1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2025-06-25 EP disclosed
US-12162838-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-12-10 US disclosed
US-12116346-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-10-15 US disclosed
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-11708333-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-10329260-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180354906-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-12-13 US disclosed
US-10125102-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2018-11-13 US disclosed
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-09-13 US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
EP-3113772-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2017-01-11 EP disclosed
WO-2015134998-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2015-09-11 WO disclosed
WO-2015134998-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2015-09-11 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 (12 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-20180354906-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 ALDH1A1 1065/4885MAPT 2830/4885CYP1A2 1525/4885
US-12116346-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ALDH1A1 1136/4885MAPT 2984/4885CYP1A2 1409/4885
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 1136/4885MAPT 2984/4885CYP1A2 1409/4885
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 1136/4885MAPT 2984/4885CYP1A2 1409/4885
US-10329260-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 ALDH1A1 1065/4885MAPT 2830/4885CYP1A2 1525/4885
US-10125102-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 ALDH1A1 1065/4885MAPT 2830/4885CYP1A2 1525/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 ALDH1A1 1065/4885MAPT 2830/4885CYP1A2 1525/4885
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 1136/4885MAPT 2984/4885CYP1A2 1409/4885
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 1136/4885MAPT 2984/4885CYP1A2 1409/4885
US-11708333-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 ALDH1A1 1425/4885MAPT 2685/4885CYP1A2 1743/4885
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 ALDH1A1 1065/4885MAPT 2830/4885CYP1A2 1525/4885
US-12162838-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ALDH1A1 1136/4885MAPT 2984/4885CYP1A2 1409/4885

“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.