SCHEMBL614967

SCHEMBL614967

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
PARP1 P09874 1/20 0.49
KMT2A Q03164 9/20 0.48
MEN1 O00255 8/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 6/20 0.48
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.45
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
PKM P14618 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
SCHEMBL30480689 1.00 ALDH1A1 (0.54) ALDH1A1PARP1KMT2AMEN1NPC1
SCHEMBL10889357 0.83 KMT2A (0.65) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL7213151 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL4018502 0.83 PARP1 (0.53) ALDH1A1PARP1KMT2AMEN1NPC1
SCHEMBL4018507 0.83 PARP1 (0.53) ALDH1A1PARP1KMT2AMEN1NPC1
SCHEMBL29780105 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL18822434 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5881545 0.82 LMNA (0.63) ALDH1A1KMT2AMEN1RAB9AHTT
SCHEMBL29780113 0.82 LMNA (0.63) ALDH1A1KMT2AMEN1RAB9AHTT
SCHEMBL616096 0.81 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1NPC1RAB9A

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 58 patents — showing the first 20. 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
CN-110062757-B Factor XIa inhibitors and uses thereof 广东东阳光药业有限公司 2022-03-04 CN 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
EP-3070087-B1 INTERMEDIATES FOR THE SYNTHESIS OF CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 EP disclosed
US-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 US disclosed
US-20140038969-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-02-06 US disclosed
WO-2014022767-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
WO-2013022814-A1 CYCLIC P1 LINKERS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-14 WO disclosed
WO-2013022818-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-14 WO disclosed
EP-2534152-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100402-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO 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 (9 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-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 ALDH1A1 4457/4885PARP1 1915/4885KMT2A 1182/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 4598/4885PARP1 1720/4885KMT2A 1111/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 4598/4885PARP1 1720/4885KMT2A 1111/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 ALDH1A1 4479/4885PARP1 1839/4885KMT2A 1029/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 ALDH1A1 4598/4885PARP1 1720/4885KMT2A 1111/4885
US-20140038969-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 1023/4885PARP1 1138/4885KMT2A 1277/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 ALDH1A1 4598/4885PARP1 1720/4885KMT2A 1111/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 4598/4885PARP1 1720/4885KMT2A 1111/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 4598/4885PARP1 1720/4885KMT2A 1111/4885

“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.