SCHEMBL4864455

SCHEMBL4864455

CC[Si](CC)(CC)OC(C[N+](=O)[O-])c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
AOC3 Q16853 1/20 0.41
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.34
HTR6 P50406 2/20 0.34
FBP1 P09467 1/20 0.33
ADRA1D P25100 1/20 0.33
GSR P00390 1/20 0.33

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
SCHEMBL17048784 0.82 CNR1 (0.40) CNR1MAPTLMNAGAAALDH1A1
SCHEMBL8634074 0.80 AOC3 (0.44) AOC3GAAHTR6
SCHEMBL4886452 0.80 AOC3 (0.44) AOC3GAAHTR6
SCHEMBL5009193 0.80 AOC3 (0.48) AOC3GAAHTR6
SCHEMBL8986918 0.80 AOC3 (0.44) AOC3GAAHTR6
SCHEMBL17048974 0.76 ALDH1A1 (0.33) CNR1MAPTMEN1KMT2AGAA
SCHEMBL17048774 0.75 NPSR1 (0.38) CNR1MAPTLMNAALDH1A1TDP1
SCHEMBL13986540 0.75 CNR1 (0.48) CNR1AOC3MAPTMEN1KMT2A
SCHEMBL16321684 0.75 CNR1 (0.48) CNR1AOC3MAPTMEN1KMT2A
SCHEMBL17048806 0.75 S1PR4 (0.33) CNR1MAPTLMNAALDH1A1HPGD

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470696-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470696-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
EP-1381598-A4 NOVEL TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-19 EP disclosed
EP-1581539-A4 NOVEL TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-09-19 EP disclosed
US-7232826-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-19 US disclosed
US-7232826-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-19 US disclosed
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
EP-1545543-A2 NOVEL TYROSINE KINASES INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
EP-1545529-A2 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
US-20040180897-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
WO-2004063151-A2 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-29 WO disclosed
US-20040092514-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-05-13 US disclosed
WO-2004030620-A2 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
WO-2004031401-A2 NOVEL TYROSINE KINASES INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
US-20040044203-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 US disclosed
EP-1381598-A1 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-21 EP disclosed
WO-2002079192-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 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 (4 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-20040180897-A1 Novel tyrosine kinase inhibitors ABL1, ROS1, YES1 CNR1 4183/4885AOC3 3360/4885MAPT 4438/4885
US-20040044203-A1 Novel tyrosine kinase inhibitors ABL1, YES1, FER CNR1 4361/4885AOC3 2411/4885MAPT 4113/4885
US-20040092514-A1 Novel tyrosine kinase inhibitors ABL1, ERBB2, ROS1 CNR1 4148/4885AOC3 2850/4885MAPT 4085/4885
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, ERBB2, ROS1 CNR1 4414/4885AOC3 3298/4885MAPT 4233/4885

“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.