SCHEMBL614882

SCHEMBL614882

COC(=O)Nc1ccc(C(=O)NN)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CTSD P07339 1/20 0.52
HTT P42858 3/20 0.49
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
ABCB1 P08183 1/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL18822435 0.85 ALDH1A1 (0.52) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL29053481 0.85 CTSD (0.56) ALDH1A1CTSDHTTMEN1KMT2A
SCHEMBL616096 0.85 ALDH1A1 (0.53) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL613839 0.83 ALDH1A1 (0.52) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL30480755 0.83 ALDH1A1 (0.52) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL15460363 0.82 ALDH1A1 (0.51) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL30480724 0.82 ALDH1A1 (0.51) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL616671 0.82 ALDH1A1 (0.51) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL615833 0.82 ALDH1A1 (0.51) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL30480702 0.82 ALDH1A1 (0.51) ALDH1A1HTTMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 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 (7 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 4598/4885CTSD 344/4885HTT 2077/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 4598/4885CTSD 344/4885HTT 2077/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 4598/4885CTSD 344/4885HTT 2077/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 ALDH1A1 4598/4885CTSD 344/4885HTT 2077/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 ALDH1A1 4598/4885CTSD 344/4885HTT 2077/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 4598/4885CTSD 344/4885HTT 2077/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 4598/4885CTSD 344/4885HTT 2077/4885

“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.