SCHEMBL1531265

SCHEMBL1531265

COc1ccc([N+](=O)[O-])cc1-c1nnnn1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
TDP1 Q9NUW8 1/20 0.48
CYP2C19 P33261 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
GRK6 P43250 1/20 0.41
CYP19A1 P11511 1/20 0.41
PTGS2 P35354 1/20 0.41
KMT2A Q03164 3/20 0.41
CYP2C9 P11712 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 2/20 0.40
MITF O75030 1/20 0.40
CHEK1 O14757 1/20 0.40
DAPK3 O43293 1/20 0.40
GRK5 P34947 1/20 0.40
LIMK1 P53667 1/20 0.40

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
SCHEMBL13225994 0.81 LMNA (0.47) LMNATDP1ALDH1A1HTTSMN1; SMN2
SCHEMBL926356 0.81 LMNA (0.56) LMNAALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL1531360 0.81 KDM4E (0.49) LMNATDP1ALDH1A1HTTSMN1; SMN2
SCHEMBL16014666 0.78 LMNA (0.60) LMNAALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL4005594 0.78 LMNA (0.47) LMNATDP1ALDH1A1HTTSMN1; SMN2
SCHEMBL13225993 0.77 LMNA (0.44) LMNAALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL1167021 0.76 HTR2A (0.51) LMNATDP1ALDH1A1HTTSMN1; SMN2
SCHEMBL1674067 0.74 PTGS2 (0.57) LMNAALDH1A1HTTSMN1; SMN2PTGS2
SCHEMBL15507848 0.74 ALDH1A1 (0.49) LMNATDP1CYP2C19ALDH1A1CYP1A2
SCHEMBL14401081 0.73 TDP1 (0.50) LMNATDP1CYP2C19ALDH1A1HTT

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-8618115-B2 Substituted thieno[3,2-d]pyrimidinones as MCHR1 antagonists and methods for using them BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 US disclosed
EP-1948665-B1 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-1948665-B1 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2298776-A1 Thienopyrimidinone derivatives as melanin concentrating hormone receptor-1 antagonists Bristol-Myers Squibb Company (US) 2011-03-23 EP disclosed
EP-1948665-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-07-30 EP disclosed
WO-2007050726-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 WO disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US 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 (1 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-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R LMNA 3409/4885TDP1 2046/4885CYP2C19 566/4885

“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.