SCHEMBL2392508

SCHEMBL2392508

Ic1ccc(NCC2CCCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.46
SMN1; SMN2 Q16637 9/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.41
GAA P10253 2/20 0.40
HCAR3 P49019 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TNK2 Q07912 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL19392469 0.84 HPGD (0.58) KCNH3SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL9684492 0.83 KCNH3 (0.62) KCNH3SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL22681015 0.80 ALDH1A1 (0.51) KCNH3SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL10825975 0.79 KCNH3 (0.50) KCNH3SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL632906 0.78 KCNH3 (0.68) KCNH3SMN1; SMN2ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL10986438 0.77 KCNH3 (0.52) KCNH3SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL29204233 0.75 EGLN2 (0.57) KCNH3SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL22023245 0.74 BACE1 (0.43) KCNH3SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7711910 0.73 KDM4E (0.62) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL16302950 0.71 PPARA (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 EP disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 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 (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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 KCNH3 3051/4885SMN1; SMN2 882/4885ALDH1A1 3726/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 KCNH3 3051/4885SMN1; SMN2 882/4885ALDH1A1 3726/4885

“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.