SCHEMBL21395564

SCHEMBL21395564

CCOC(=O)c1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 6/20 0.53
ALDH1A1 P00352 7/20 0.51
HPGD P15428 4/20 0.51
KDM4E B2RXH2 3/20 0.51
GALR2 O43603 1/20 0.51
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
HSP90AA1 P07900 1/20 0.51
XBP1 P17861 1/20 0.51
CCR6 P51684 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
USP10 Q14694 1/20 0.49
MAOB P27338 2/20 0.49
GAA P10253 2/20 0.49
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
GLA P06280 1/20 0.49
CA3 P07451 1/20 0.49

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
SCHEMBL21707869 0.89 MAPT (0.58) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL5115555 0.85 CA12 (0.62) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL268414 0.85 TDP1 (0.62) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL4268650 0.84 ALDH1A1 (0.49) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL10790681 0.84 SMN1; SMN2 (0.51) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL10789604 0.84 USP10 (0.57) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL148384 0.84 MAPT (0.56) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL14114749 0.82 SMN1; SMN2 (0.61) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL4273530 0.82 SMN1; SMN2 (0.52) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL267821 0.81 MAPT (0.65) LMNAMAPTSMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
EP-3484878-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS Bristol-Myers Squibb Company (US) 2019-05-22 EP disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 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 (3 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 LMNA 603/4885MAPT 1155/4885SMN1; SMN2 3957/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 LMNA 745/4885MAPT 1432/4885SMN1; SMN2 3677/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 LMNA 603/4885MAPT 1155/4885SMN1; SMN2 3957/4885

“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.