SCHEMBL13665487

SCHEMBL13665487

CCC1c2c(c3cc(Cl)ccc3n2-c2ccncc2)CCN1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAT2A P31153 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ BAZ2B Q9UIF8 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ USP14 P54578 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL13665490 0.92 KDM4E (0.42) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL13654432 0.88 KCNH2 (0.43) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL13654587 0.88 CYP11B2 (0.44) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL13665753 0.86 SLC6A4 (0.40) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL13665767 0.86 MAPT (0.40) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL13666165 0.85 MAT2A (0.37) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL13665759 0.85 KDM4E (0.39) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL13665755 0.84 USP14 (0.43) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL13654435 0.81 KDM4E (0.37) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL13665495 0.80 NR1I2 (0.36) KDM4EALDH1A1LMNAMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 — — US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 — — 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-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C KDM4E 1637/4885ALDH1A1 1514/4885LMNA 4568/4885

“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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