SCHEMBL3561176

SCHEMBL3561176

OC(c1ccc(F)cc1)c1ccc2noc(-c3cccc(Cl)c3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
IP6K1 Q92551 4/20 0.41
IP6K3 Q96PC2 4/20 0.41
IP6K2 Q9UHH9 4/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 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
SCHEMBL3551493 0.88 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL5668301 0.82 MAPT (0.47) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL5548740 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL3559449 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL6564479 0.73 OPRM1 (0.46) ALDH1A1KMT2AMEN1TSHR
SCHEMBL1757999 0.73 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL29080634 0.72 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL6012040 0.70 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL13208416 0.70 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL25991593 0.70 IP6K1 (0.81) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655654-B2 Farnesyl transferase inhibiting tricyclic quinazoline derivatives substituted with carbon-linked imidazoles or triazoles JANSSEN PHARMACEUTICA NV (BE) 2010-02-02 US disclosed
US-7511138-B2 Farnesyl transferase inhibiting tricyclic quinazoline derivatives substituted with carbon-linked imidazoles or triazoles JANSSEN PHARMACEUTICA NV (BE) 2009-03-31 US disclosed
US-20080027086-A1 FARNESYL TRANSFERASE INHIBITING TRICYCLIC QUINAZOLINE DERIVATIVES SUBSTITUTED WITH CARBON-LINKED IMIDAZOLES OR TRIAZOLES ANGIBAUD PATRICK R 2008-01-31 US disclosed
EP-1497295-B1 FARNESYL TRANSFERASE INHIBITING TRICYCLIC QUINAZOLINE DERIVATIVES SUBSTITUTED WITH CARBON-LINKED IMIDAZOLES OR TRIAZOLES JANSSEN PHARMACEUTICA NV (BE) 2006-08-16 EP disclosed
US-20050148609-A1 Farnesyl transferase inhibiting tricyclic quinazoline derivatives substituted with carbon-linked imidazoles of triazoles JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-07 US disclosed
EP-1497295-A1 FARNESYL TRANSFERASE INHIBITING TRICYCLIC QUINAZOLINE DERIVATIVES SUBSTITUTED WITH CARBON-LINKED IMIDAZOLES OR TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-19 EP disclosed
WO-2003087101-A1 FARNESYL TRANSFERASE INHIBITING TRICYCLIC QUINAZOLINE DERIVATIVES SUBSTITUTED WITH CARBON-LINKED IMIDAZOLES OR TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-23 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 (2 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-20050148609-A1 Farnesyl transferase inhibiting tricyclic quinazoline derivatives substituted with carbon-linked imidazoles of triazoles FNTA, FNTB, HCCS ALDH1A1 1560/4885SMN1; SMN2 4885/4885HPGD 2155/4885
US-20080027086-A1 FARNESYL TRANSFERASE INHIBITING TRICYCLIC QUINAZOLINE DERIVATIVES SUBSTITUTED WITH CARBON-LINKED IMIDAZOLES OR TRIAZOLES FNTA, FNTB, CYP7A1 ALDH1A1 1696/4885SMN1; SMN2 4885/4885HPGD 2245/4885

“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.