SCHEMBL5783012

SCHEMBL5783012

Nc1ccc(C2(c3ccc(Cl)cc3)OCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
CHEK2 O96017 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD11B2 P80365 2/20 0.38
KDM1A O60341 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL17378166 0.89 ALDH1A1 (0.43) CHEK2MEN1KMT2AALDH1A1LMNA
SCHEMBL15874277 0.89 CHEK2 (0.43) MAOAMAOBCHEK2KMT2AKDM1A
SCHEMBL3562339 0.80 CNR1 (0.39) MAOAMAOBCHEK2KDM1AALDH1A1
SCHEMBL3570463 0.76 HSD17B10 (0.57) CHEK2ALDH1A1LMNAMAPTTSHR
4-Chloroaniline SCHEMBL4954633 0.75 MAOA (0.65) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL4374155 0.73 CYP1A2 (0.46) MAOAMAOBMEN1KMT2AALDH1A1
4-Chloroaniline SCHEMBL27475886 0.72 MAOA (0.68) MAOAMAOBMEN1KMT2AALDH1A1
4-Chloroaniline SCHEMBL27544 0.72
4-Chloroaniline SCHEMBL16922177 0.72
SCHEMBL10516569 0.72 ALDH1A1 (0.41) CHEK2MEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129356-B2 Farnesyl transferase inhibiting 4-substituted quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-31 US disclosed
EP-1347966-B1 FARNESYL TRANSFERASE INHIBITING 4-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2006-03-08 EP disclosed
US-20040063944-A1 Farnesyl transferase inhibiting 4-substituted quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2004-04-01 US disclosed
EP-1347966-A1 FARNESYL TRANSFERASE INHIBITING 4-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-01 EP disclosed
WO-2002051835-A1 FARNESYL TRANSFERASE INHIBITING 4-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-07-04 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 (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-20040063944-A1 Farnesyl transferase inhibiting 4-substituted quinoline and quinazoline derivatives FNTA, FNTB, CYP7A1 MAOA 2811/4885MAOB 2937/4885CHEK2 3094/4885

“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.