SCHEMBL1623752

SCHEMBL1623752

O=C(Cl)C1C[C@H]1c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.63
ALDH1A1 P00352 2/20 0.61
SLC9A1 P19634 1/20 0.58
HPGD P15428 1/20 0.54
FFAR1 O14842 1/20 0.53
DEGS1 O15121 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
NAMPT P43490 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
HRH3 Q9Y5N1 4/20 0.50
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL8183655 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL1524081 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL452300 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL12431140 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL452299 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL987381 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL11475389 0.86 HDAC4 (0.50) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL2034678 0.84 FFAR1 (0.70) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL8295172 0.84 FFAR1 (0.70) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL5217474 0.84 FFAR1 (0.70) HDAC4ALDH1A1SLC9A1HPGDFFAR1

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-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
US-7928107-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-19 US disclosed
US-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 US disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP disclosed
EP-1784393-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2007-05-16 EP disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
WO-2006028904-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-16 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-20090312342-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 HDAC4 1208/4885ALDH1A1 2907/4885SLC9A1 180/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 HDAC4 1208/4885ALDH1A1 2907/4885SLC9A1 180/4885

“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.