SCHEMBL2393018

SCHEMBL2393018

CN(Cc1ccc(I)cc1)C1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.74
▸ HRH4 Q9H3N8 1/20 0.74
▸ LTA4H P09960 2/20 0.50
▸ PARP1 P09874 2/20 0.49
▸ CXCR3 P49682 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PYCR1 P32322 1/20 0.42
▸ SLC18A3 Q16572 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ AR P10275 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 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
SCHEMBL12082363 0.84 HRH3 (0.77) HRH3HRH4LTA4HPARP1ALDH1A1
SCHEMBL27877169 0.83 HRH3 (0.51) HRH3HRH4CXCR3SIGMAR1PYCR1
SCHEMBL16549263 0.82 HRH3 (0.74) HRH3HRH4LTA4HPARP1ALDH1A1
SCHEMBL3085764 0.82 HRH3 (0.74) HRH3HRH4LTA4HPARP1ALDH1A1
SCHEMBL13649128 0.82 HRH3 (0.74) HRH3HRH4LTA4HPARP1ALDH1A1
SCHEMBL7603670 0.81 HRH3 (0.73) HRH3HRH4LTA4HPARP1ALDH1A1
SCHEMBL12084399 0.81 HRH3 (0.73) HRH3HRH4LTA4HPARP1ALDH1A1
Water SCHEMBL27599057 0.81 HRH3 (0.72) HRH3HRH4LTA4HPARP1ALDH1A1
Hydrochloric Acid SCHEMBL9393545 0.80 HRH3 (0.71) HRH3HRH4LTA4HPARP1ALDH1A1
SCHEMBL531089 0.79 HRH3 (0.70) HRH3HRH4LTA4HALDH1A1LMNA

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 6 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
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-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

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 HRH3 737/4885HRH4 187/4885LTA4H 3205/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 HRH3 737/4885HRH4 187/4885LTA4H 3205/4885

“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.

Send feedback