SCHEMBL3555488

SCHEMBL3555488

O=C(c1ccc(F)cc1)c1ccc(NC(=O)C(Cl)(Cl)Cl)c(C(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
VNN1 O95497 1/20 0.46
SERPINE1 P05121 1/20 0.45
ALDH1A1 P00352 5/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PDK1 Q15118 2/20 0.44
PDK2 Q15119 2/20 0.44
PDK3 Q15120 2/20 0.44
PDK4 Q16654 2/20 0.44
TP53 P04637 2/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42

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 0.89 TP53 (0.50) MAPTSERPINE1ALDH1A1LMNASMN1; SMN2
SCHEMBL5656080 0.89 MAPT (0.50) MAPTSERPINE1ALDH1A1LMNASMN1; SMN2
SCHEMBL3552210 0.86 ALDH1A1 (0.54) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL5023776 0.83 ALDH1A1 (0.59) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL5655125 0.82 RAB9A (0.52) MAPTALDH1A1SMN1; SMN2TP53KMT2A
SCHEMBL5023284 0.82 PRSS12 (0.43) MAPTSERPINE1ALDH1A1LMNASMN1; SMN2
SCHEMBL8569299 0.81 MAPT (0.67) MAPTSERPINE1ALDH1A1LMNASMN1; SMN2
SCHEMBL5545688 0.81 DOT1L (0.51) MAPTSERPINE1ALDH1A1SMN1; SMN2GAA
SCHEMBL3444654 0.80 VNN1 (0.58) MAPTVNN1ALDH1A1LMNASMN1; SMN2
SCHEMBL3559277 0.78 ALOX15 (0.51) MAPTVNN1ALDH1A1LMNATP53

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 MAPT 2475/4885VNN1 4413/4885SERPINE1 2149/4885
US-20080027086-A1 FARNESYL TRANSFERASE INHIBITING TRICYCLIC QUINAZOLINE DERIVATIVES SUBSTITUTED WITH CARBON-LINKED IMIDAZOLES OR TRIAZOLES FNTA, FNTB, CYP7A1 MAPT 2517/4885VNN1 4428/4885SERPINE1 1907/4885

“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.