SCHEMBL5370424

SCHEMBL5370424

O=C1[N]CC(c2ccccc2)N1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.38
NOS1 P29475 1/20 0.38
LMNA P02545 3/20 0.37
USP2 O75604 1/20 0.37
MEN1 O00255 4/20 0.36
PRCP P42785 1/20 0.36
NPC1 O15118 1/20 0.36
ADORA3 P0DMS8 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
SCHEMBL11443179 0.73 BRD4 (0.43) KMT2AMAPTALDH1A1KDM4EGAA
SCHEMBL6247618 0.70 BRD4 (0.50) KMT2AMAPTALDH1A1KDM4EGAA
SCHEMBL9295153 0.70 BRD4 (0.50) KMT2AMAPTALDH1A1KDM4EGAA
SCHEMBL157619 0.70 BRD4 (0.50) KMT2AMAPTALDH1A1KDM4EGAA
SCHEMBL17887717 0.68 NOS1 (0.41) KMT2AMAPTKDM4EGAANOS1
SCHEMBL13655204 0.68 NOS1 (0.41) KMT2AMAPTKDM4EGAANOS1
SCHEMBL2199447 0.65 NOS1 (0.49) KMT2AMAPTALDH1A1KDM4EGAA
SCHEMBL3961283 0.65 MAPT (0.55) KMT2AMAPTALDH1A1KDM4EGAA
SCHEMBL3584879 0.65 DDB1 (0.52) KMT2AALDH1A1GFERSMN1; SMN2BRD4
SCHEMBL8177567 0.65 DDB1 (0.52) KMT2AALDH1A1GFERSMN1; SMN2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US claimed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US claimed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 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 (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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 KMT2A 4461/4885MAPT 1677/4885ALDH1A1 425/4885

“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.