SCHEMBL17470351

SCHEMBL17470351

CCCC(CCC)c1cc(N)n2nc(C)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.50
▸ ALDH1A1 P00352 6/20 0.38
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ NPC1 O15118 6/20 0.38
▸ RAB9A P51151 6/20 0.38
▸ HPGD P15428 5/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35

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
SCHEMBL15731830 0.85 PIK3CG (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6889481 0.77 CCNT1 (0.43) CDK5CDK5R1
SCHEMBL26874938 0.73 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10388599 0.73 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7845874 0.72 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL20534145 0.69 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL21849273 0.66 KDM4E (0.33) KDM4ESMN1; SMN2MAOBTSHR
SCHEMBL11930695 0.65 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5091110 0.65 KDM4E (0.35) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL10623184 0.65 KDM4E (0.43) KDM4ESMN1; SMN2NPC1RAB9AHPGD

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-20160022742-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2016-01-28 — — 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-20160022742-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE PYGL, HNF4A, ATF1 KDM4E 850/4885ALDH1A1 1437/4885SMN1; SMN2 3176/4885

“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.

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