SCHEMBL535121

SCHEMBL535121

Nc1cc(Br)ccc1C[CH]CCCCO

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC6A3 Q01959 1/20 0.30
PNMT P11086 1/20 0.30

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
SCHEMBL536017 0.77 CA2 (0.30)
SCHEMBL535252 0.77 S100A4 (0.39) KDM4EHTT
SCHEMBL2540684 0.73 KDM4E (0.38) SLC6A2SLC6A4KDM4EGLAALDH1A1
SCHEMBL754025 0.73 KDM4E (0.41) SLC6A2SLC6A4KDM4EGLAALDH1A1
SCHEMBL16052518 0.70 PYCR1 (0.42) LMNA
SCHEMBL6739825 0.70 KDM4E (0.38) KDM4EGLAALDH1A1KMT2A
SCHEMBL29429850 0.68 ALDH1A1 (0.39) KDM4EGLAALDH1A1KMT2A
SCHEMBL16429762 0.67 USP28 (0.49) ALDH1A1LMNAHTTKMT2A
SCHEMBL3923194 0.67 CYP2A6 (0.46) KDM4EGLAALDH1A1KMT2A
SCHEMBL30673419 0.67 KDM4E (0.42) KDM4EGLAALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 US disclosed
US-9273013-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-03-01 US disclosed
US-20130178624-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-11 US disclosed
US-8394786-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
EP-1633365-B1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-02-08 EP disclosed
EP-2305687-A1 Quinazoline derivatives Janssen Pharmaceutica NV (BE) 2011-04-06 EP disclosed
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 US disclosed
US-7648975-B2 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 US disclosed
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US 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-20130178624-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 SLC6A2 1376/4885SLC6A4 979/4885KDM4E 3453/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 SLC6A2 2948/4885SLC6A4 1836/4885KDM4E 2513/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 SLC6A2 1354/4885SLC6A4 958/4885KDM4E 3623/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 SLC6A2 733/4885SLC6A4 601/4885KDM4E 3775/4885

“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.