SCHEMBL20909550

SCHEMBL20909550

CCCCC(CCC)C(=O)c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
LONP1 P36776 5/20 0.50
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
NAPRT Q6XQN6 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
TSHR P16473 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
MC3R P41968 1/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL24998246 0.97 KDM4E (0.52) KDM4ELONP1RAB9ASMN1; SMN2NPC1
SCHEMBL11526544 0.77 KDM4E (0.46) KDM4ELONP1RAB9ASMN1; SMN2NPC1
SCHEMBL25139619 0.77 LONP1 (0.40) KDM4ELONP1RAB9ASMN1; SMN2NPC1
SCHEMBL29134586 0.75 LONP1 (0.47) KDM4ELONP1RAB9ASMN1; SMN2NPC1
SCHEMBL11529156 0.74 RAB9A (0.45) KDM4ELONP1RAB9ASMN1; SMN2NPC1
SCHEMBL25139746 0.73 HRH4 (0.47) KDM4ELONP1MAPTPOLB
SCHEMBL8225877 0.72 KDM4E (0.50) KDM4ELONP1RAB9ASMN1; SMN2NPC1
SCHEMBL28377616 0.71 KDM4E (0.52) KDM4ELONP1RAB9ASMN1; SMN2NPC1
SCHEMBL28405103 0.71 KDM4E (0.52) KDM4ELONP1RAB9ASMN1; SMN2NPC1
SCHEMBL30665084 0.71 POLB (0.46) KDM4ELONP1RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT KDM4E 289/4885LONP1 319/4885RAB9A 1408/4885

“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.