SCHEMBL7649455

SCHEMBL7649455

COc1ccc([N+](=O)[O-])c(CCO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 3/20 0.46
CYP2D6 P10635 1/20 0.46
CHEK1 O14757 1/20 0.45
BACE1 P56817 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
MAPT P10636 4/20 0.44
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
SCHEMBL5051522 0.90 ALDH1A1 (0.50) PTPN1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL2946382 0.89 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL1289600 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL2259328 0.84 TAAR1 (0.57) PTPN1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL3601373 0.84 POLB (0.58) PTPN1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3105068 0.83 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
Acetic Acid SCHEMBL19873875 0.81 ADRA1A (0.50) PTPN1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28444987 0.81 POLB (0.52) PTPN1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16094929 0.81 ALDH1A1 (0.56) PTPN1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL1856347 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNANPC1RAB9A

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 14 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
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
EP-0797580-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2002-04-10 EP disclosed
US-5763599-A FOR LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON DNA CHIP Pfleiderer, Wolfgang (DE) 1998-06-09 US disclosed
EP-0797580-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1997-10-01 EP disclosed
WO-1996018634-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1996-06-20 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 PTPN1 1568/4885ALDH1A1 1598/4885SMN1; SMN2 3957/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 PTPN1 2174/4885ALDH1A1 1618/4885SMN1; SMN2 3677/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 PTPN1 1568/4885ALDH1A1 1598/4885SMN1; 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.