SCHEMBL1337290

SCHEMBL1337290

FNNc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
IDO1 P14902 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
FADS1 O60427 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL1091453 0.98 MAPT (0.52) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8795345 0.85 MAPT (0.61) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL3202726 0.81
SCHEMBL2481143 0.79 MAPT (0.55) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL7234754 0.77 MAPT (0.53) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8714373 0.77 MAPT (0.53) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL20954869 0.77 MAPT (0.53) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL10669562 0.77 MAPT (0.58) MAPTALDH1A1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL11064752 0.76 MAPT (0.56) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL1686631 0.75 FADS1 (0.59) MAPTALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102282147-B Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2015-09-30 CN disclosed
US-8653127-B2 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2014-02-18 US disclosed
EP-2391627-B1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS INC (US) 2013-12-25 EP disclosed
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP disclosed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
CN-102282147-A Bicyclic pyrazolo-heterocycles 2011-12-14 CN disclosed
EP-2391627-A2 BICYCLIC PYRAZOLO-HETEROCYCLES Cara Therapeutics, Inc. (US) 2011-12-07 EP disclosed
US-20110275609-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
CN-102239162-A Pyridazinone derivatives HOFFMANN LA ROCHE 2011-11-09 CN disclosed
EP-2373641-A1 PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
WO-2010088050-A2 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2010-08-05 WO disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 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-20100152193-A1 PYRIDAZINONES PDE5A, PDE3A, PDE10A MAPT 2313/4885ALDH1A1 251/4885GAA 752/4885
US-20110275609-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CNR1, CNR2, HRH4 MAPT 1876/4885ALDH1A1 1849/4885GAA 4263/4885

“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.