SCHEMBL20106716

SCHEMBL20106716

CCNCc1ccc(N2CCCC(C)C2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ GAA P10253 3/20 0.41
▸ THRB P10828 2/20 0.41
▸ MAPT P10636 8/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ CSF1R P07333 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ TP53 P04637 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
SCHEMBL19618269 0.89 KDM4E (0.52) KDM4EHTTGAATHRBMAPT
SCHEMBL19618263 0.84 KDM4E (0.46) KDM4EHTTGAATHRBMAPT
SCHEMBL19618204 0.79 HPGD (0.42) KDM4EHTTGAAMAPTALDH1A1
SCHEMBL23838686 0.72 MAPT (0.47) MAPTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL19618268 0.72 PRMT6 (0.55) HTTGAAMAPTALDH1A1HPGD
SCHEMBL17570358 0.71 NOTUM (0.50) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL20756486 0.71 HTT (0.55) KDM4EHTTGAAMAPTALDH1A1
SCHEMBL16812991 0.71 ALDH1A1 (0.49) MAPTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL10264449 0.70 MAPT (0.41) KDM4EHTTTHRBMAPTALDH1A1
SCHEMBL17570348 0.69 NOTUM (0.47) KDM4EGAAMAPTALDH1A1LMNA

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-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE GRA VENTURE FUND, LLC 2018-05-03 — — 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-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R KDM4E 1707/4885HTT 2551/4885GAA 407/4885

“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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