SCHEMBL3784474

SCHEMBL3784474

Nc1c(Cl)cccc1NC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
GAA P10253 3/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CNR2 P34972 1/20 0.43
IDO1 P14902 1/20 0.41
KMT5B Q4FZB7 1/20 0.41
KMT5C Q86Y97 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA6 P23280 2/20 0.39

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
SCHEMBL31720600 1.00 KDM4E (0.59) KDM4EGAAMAPTSMN1; SMN2TSHR
SCHEMBL20338435 0.91 KDM4E (0.46) KDM4EGAAMAPTSMN1; SMN2TSHR
SCHEMBL26861418 0.83 OPRL1 (0.42) KDM4EGAAMAPTALDH1A1
SCHEMBL5089851 0.82 KDM4E (0.53) KDM4EGAAMAPTSMN1; SMN2TSHR
SCHEMBL5046395 0.82 KDM4E (0.61) KDM4EGAAMAPTSMN1; SMN2TSHR
SCHEMBL26861434 0.81 POLB (0.50) KDM4EGAAMAPTPOLBALDH1A1
SCHEMBL3791325 0.81 KDM4E (0.51) KDM4EGAAMAPTSMN1; SMN2TSHR
SCHEMBL3787465 0.80 KDM4E (0.58) KDM4EGAAMAPTSMN1; SMN2TSHR
SCHEMBL19403829 0.80 KDM4E (0.58) KDM4EGAAMAPTSMN1; SMN2TSHR
SCHEMBL30936608 0.79 KDM4E (0.59) KDM4EGAAMAPTNPC1RAB9A

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KDM4E 2606/4885GAA 1755/4885MAPT 3312/4885

“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.