SCHEMBL3552210

SCHEMBL3552210

COc1ccc(C(=O)c2ccc(NC(=O)C(Cl)(Cl)Cl)c(C(=O)c3cccc(Cl)c3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
RAB9A P51151 2/20 0.48
HPGD P15428 3/20 0.46
NPC1 O15118 1/20 0.45
THRB P10828 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 1/20 0.43
GRM5 P41594 1/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.43
GFER P55789 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
SCHEMBL3555862 0.88 TP53 (0.50) ALDH1A1MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL3555488 0.86 MAPT (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5656080 0.85 MAPT (0.50) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8406665 0.81 HPGD (0.69) ALDH1A1MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL5023776 0.79 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2HPGDGAA
SCHEMBL3559185 0.79 RAB9A (0.57) ALDH1A1MAPTRAB9AHPGDNPC1
SCHEMBL5655125 0.79 RAB9A (0.52) ALDH1A1MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL5023284 0.78 PRSS12 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL26565407 0.78 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2RAB9AHPGD
SCHEMBL8569299 0.77 MAPT (0.67) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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 1560/4885CYP1A2 114/4885CYP3A4 52/4885
US-20080027086-A1 FARNESYL TRANSFERASE INHIBITING TRICYCLIC QUINAZOLINE DERIVATIVES SUBSTITUTED WITH CARBON-LINKED IMIDAZOLES OR TRIAZOLES FNTA, FNTB, CYP7A1 ALDH1A1 1696/4885CYP1A2 135/4885CYP3A4 66/4885

“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.