SCHEMBL3682282

SCHEMBL3682282

C=CCCNCCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.53
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LSS P48449 3/20 0.43
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
BACE1 P56817 2/20 0.40

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
SCHEMBL3679262 0.91 KDM4E (0.46) KDM4ELMNAPOLBHPGDSMN1; SMN2
SCHEMBL3671618 0.90 KDM4E (0.43) KDM4ELMNANPSR1POLBSMN1; SMN2
SCHEMBL8045891 0.89 KDM4E (0.48) KDM4ELMNASMN1; SMN2LSSKMT2A
SCHEMBL8035731 0.88 KDM4E (0.47) KDM4ELMNALSSKMT2AALDH1A1
SCHEMBL9553332 0.84 KDM4E (0.47) KDM4ELMNANPSR1POLBTP53
SCHEMBL8035143 0.83 LSS (0.60) KDM4ELSSKMT2AALDH1A1MEN1
SCHEMBL8045645 0.81 KDM4E (0.50) KDM4ELMNANPSR1POLBNPC1
SCHEMBL7771989 0.80 LSS (0.48) KDM4ELMNALSSKMT2AALDH1A1
SCHEMBL3682279 0.78 LSS (0.72) KDM4ELMNALSSKMT2AALDH1A1
SCHEMBL9360025 0.78 KDM4E (0.53) KDM4ELMNARAB9ALSSKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP claimed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed
US-5637771-A Compound useful for lowering cholesterol HOFFMANN-LA ROCHE INC. (US) 1997-06-10 US disclosed
US-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 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-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 KDM4E 731/4885LMNA 340/4885NPSR1 4509/4885

“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.