SCHEMBL550098

SCHEMBL550098

CCCC1Cc2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.44
BRD4 O60885 2/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MTNR1A P48039 3/20 0.42
DRD3 P35462 1/20 0.38
AR P10275 1/20 0.37
PNMT P11086 2/20 0.37
PRKCD Q05655 1/20 0.36

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
Naphthalene SCHEMBL7004559 0.95 CREBBP (0.41) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL28923868 0.89 ALDH1A1 (0.43) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL19987645 0.88 ALDH1A1 (0.48) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL23010557 0.86 ALDH1A1 (0.47) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL28923894 0.86 ALDH1A1 (0.47) CREBBPBRD4GAAMAPTMTNR1A
Naphthalene SCHEMBL7011468 0.85 ALDH1A1 (0.40) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL22955423 0.85 CREBBP (0.59) CREBBPBRD4GAAMAPTMTNR1A
SCHEMBL549073 0.85 CREBBP (0.59) CREBBPBRD4GAAMAPTMTNR1A
Naphthalene SCHEMBL7006954 0.84 ALDH1A1 (0.45) CREBBPBRD4GAAMAPTMTNR1A
Naphthalene SCHEMBL7009617 0.82 ALDH1A1 (0.44) CREBBPBRD4GAAMAPTMTNR1A

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
CN-110437123-B Method for synthesizing optically pure 2-substituted indoline compound through dynamic kinetic resolution 华中师范大学 2023-01-03 CN disclosed
WO-2021252491-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS ALIGOS THERAPEUTICS, INC. (US) 2021-12-16 WO disclosed
EP-2615096-B1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
WO-2009065920-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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 (1 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-20110021500-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA CREBBP 2836/4885BRD4 2924/4885GAA 3037/4885

“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.