SCHEMBL1030620

SCHEMBL1030620

Cc1ccc(Cn2c(-c3ccc(Oc4ccccc4)cc3)cc3ccccc3c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
P2RX3 P56373 2/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.43
KDM4E B2RXH2 3/20 0.43
P2RX4 Q99571 1/20 0.43
MITF O75030 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
PDE9A O76083 1/20 0.42
PDE1C Q14123 1/20 0.42
F11 P03951 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CNR1 P21554 1/20 0.41
GAA P10253 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
SCHEMBL1031717 0.92 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AP2RX3LMNA
SCHEMBL1032971 0.92 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AP2RX3LMNA
SCHEMBL1033233 0.92 F11 (0.45) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL1033487 0.89 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ALMNATDP1
SCHEMBL1033948 0.89 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AP2RX3LMNA
SCHEMBL1034066 0.89 KMT2A (0.48) ALDH1A1MEN1KMT2AP2RX3LMNA
SCHEMBL1032298 0.86 RXRA (0.43) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL1034497 0.86 P2RX3 (0.44) ALDH1A1MEN1KMT2AP2RX3LMNA
SCHEMBL1032911 0.86 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AP2RX3LMNA
SCHEMBL1033581 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ALMNATDP1

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 12 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
EP-1572660-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-09-14 EP claimed
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents X-CEPTOR THERAPEUTICS INC. 2004-10-14 US claimed
WO-2004058717-A1 ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2004-07-15 WO 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 ALDH1A1 601/4885MEN1 4349/4885KMT2A 3097/4885
US-20040204447-A1 Isoquinolinone derivatives and their use as therapeutic agents NR1H2, NR1I2, NR1H3 ALDH1A1 415/4885MEN1 4476/4885KMT2A 3367/4885

“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.