SCHEMBL1034622

SCHEMBL1034622

Cc1ccc(Cn2c(-c3cccc(C(F)(F)F)c3)cc3ccccc3c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
P2RX3 P56373 4/20 0.46
TP53 P04637 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PPARG P37231 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
P2RX4 Q99571 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL1036340 0.91 RGS4 (0.46) MAPTSMN1; SMN2THRBTP53ALDH1A1
SCHEMBL1030615 0.86 DDR1 (0.41) MAPTTP53ALDH1A1GRIN1GRIN2B
SCHEMBL1032272 0.86 ALDH1A1 (0.49) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL1033487 0.85 ALDH1A1 (0.55) MAPTSMN1; SMN2HPGDTP53MEN1
SCHEMBL1036794 0.81 PGR (0.45) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1033163 0.81 ALDH1A1 (0.48) MAPTSMN1; SMN2HPGDTP53MEN1
SCHEMBL1033074 0.80 ALDH1A1 (0.51) MAPTSMN1; SMN2HPGDTP53MEN1
SCHEMBL12390176 0.79 MAPT (0.54) MAPTSMN1; SMN2THRBHPGDP2RX3
SCHEMBL1033581 0.78 ALDH1A1 (0.53) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1031040 0.78 ALDH1A1 (0.44) MAPTSMN1; SMN2TP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572660-B1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X CEPTOR THERAPEUTICS INC (US) 2011-01-26 EP claimed
US-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents EXELIXIS, INC. (US) 2008-06-05 US claimed
US-7265131-B2 Isoquinolinone derivatives and their use as therapeutic agents EXELIXIS, INC. (US) 2007-09-04 US claimed
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents X-CEPTOR THERAPEUTICS INC. 2004-10-14 US claimed
EP-1572660-B1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X CEPTOR THERAPEUTICS INC (US) 2011-01-26 EP disclosed
US-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents EXELIXIS, INC. (US) 2008-06-05 US disclosed
US-7265131-B2 Isoquinolinone derivatives and their use as therapeutic agents EXELIXIS, INC. (US) 2007-09-04 US disclosed
EP-1572660-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-09-14 EP disclosed
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents X-CEPTOR THERAPEUTICS INC. 2004-10-14 US disclosed
WO-2004058717-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2004-07-15 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-20080132521-A1 Isoquinolinone Derivatives and Their Use As Therapeutic Agents NR1H2, NR1H3, NR1I2 MAPT 3746/4885SMN1; SMN2 2403/4885THRB 325/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 MAPT 3386/4885SMN1; SMN2 2375/4885THRB 430/4885

“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.