SCHEMBL5117619

SCHEMBL5117619

O=C(Nc1ccc(Cl)cn1)C1=NOC2(CCN(C(=S)NCCCc3ccccc3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 6/20 0.42
EPHX2 P34913 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ADAMTS4 O75173 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL1457487 0.87 LMNA (0.41) NAMPTLMNATSHRL3MBTL1ALDH1A1
SCHEMBL5121926 0.85 TRPV4 (0.45) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5119238 0.82 ALDH1A1 (0.46) LMNAALDH1A1EPHX2MEN1KMT2A
SCHEMBL5122782 0.79 MEN1 (0.47) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL5118948 0.75 GPR119 (0.56) TSHRMEN1KMT2AHTTMAPT
SCHEMBL5120242 0.73 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5121165 0.73 GAA (0.47) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL1457423 0.72 ALDH1A1 (0.44) LMNAALDH1A1EPHX2MEN1KMT2A
SCHEMBL1457171 0.72 ALDH1A1 (0.41) L3MBTL1ALDH1A1KDM4E
SCHEMBL5119573 0.72 KMT2A (0.39) ALDH1A1MEN1KMT2AHTTSMN1; SMN2

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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US claimed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 NAMPT 319/4885LMNA 421/4885TSHR 2912/4885

“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.