SCHEMBL613715

SCHEMBL613715

CC1(C)COB(c2ccc([N+](=O)[O-])cc2N)OC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 7/20 0.45
ALDH1A1 P00352 5/20 0.45
GAA P10253 2/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.42
ALOX15 P16050 1/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GFER P55789 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL29053461 0.86 CYP3A4 (0.45) CYP3A4TSHRTDP1ALDH1A1GAA
SCHEMBL18797069 0.81 CYP3A4 (0.51) CYP3A4TSHRTDP1ALDH1A1GAA
SCHEMBL3114727 0.81 HTT (0.50) CYP3A4TDP1ALDH1A1GAAHTT
SCHEMBL18933773 0.79 CASP1 (0.35) CA12CA1CA2CA9
SCHEMBL30526693 0.78 TDP1 (0.49) CYP3A4TDP1ALDH1A1HTTMAPT
SCHEMBL2723790 0.78 TDP1 (0.49) CYP3A4TDP1ALDH1A1HTTMAPT
SCHEMBL615942 0.77 ALDH1A1 (0.38) ALDH1A1GAAHTTCA1CA2
SCHEMBL19792718 0.76 CYP3A4 (0.43) CYP3A4TSHRTDP1ALDH1A1GAA
SCHEMBL20312474 0.75 HSD17B10 (0.42) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL13043980 0.74 TSHR (0.47) TSHRTDP1ALDH1A1GAAHTT

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 146 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
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
EP-3371162-B1 MACROCYCLIC SPIROCARBAMATE DERIVATIVES AS FACTOR XIA INHIBITORS, PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME (US) 2022-01-26 EP disclosed
EP-3371162-B1 MACROCYCLIC SPIROCARBAMATE DERIVATIVES AS FACTOR XIA INHIBITORS, PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME (US) 2022-01-26 EP disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 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-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
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-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
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-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
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 (5 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-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CYP3A4 1109/4885TSHR 2404/4885TDP1 2393/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 CYP3A4 1109/4885TSHR 2404/4885TDP1 2393/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 CYP3A4 1109/4885TSHR 2404/4885TDP1 2393/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CYP3A4 1109/4885TSHR 2404/4885TDP1 2393/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CYP3A4 1109/4885TSHR 2404/4885TDP1 2393/4885

“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.