SCHEMBL1639374

SCHEMBL1639374

C/C(=N/c1c(C(C)C)cccc1C(C)C)c1cccc(-c2ccccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
KAT6A Q92794 2/20 0.38
CTSK P43235 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTT P42858 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
CNR1 P21554 1/20 0.36
CYP2A6 P11509 1/20 0.36
KMT2A Q03164 2/20 0.35
TLR4 O00206 1/20 0.35
TLR2 O60603 1/20 0.35
GRM5 P41594 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1639376 1.00 CTSL (0.38) CTSLCTSBCTSSKAT6ACTSK
SCHEMBL12726481 1.00 CTSL (0.38) CTSLCTSBCTSSKAT6ACTSK
SCHEMBL1638049 0.86 CTSL (0.40) CTSLCTSBCTSSKAT6ACTSK
SCHEMBL1638050 0.86 CTSL (0.40) CTSLCTSBCTSSKAT6ACTSK
Hydrochloric Acid SCHEMBL8173538 0.82 P4HTM (0.44) HTTKMT2AMEN1NPC1GAA
SCHEMBL18544009 0.81 FURIN (0.43) CYP3A4HTTKMT2ANPC1GAA
SCHEMBL8172155 0.79 KDM4E (0.44) HTTKMT2AMEN1NPC1GAA
SCHEMBL1069879 0.78 LMNA (0.49) CYP3A4HTTKMT2AGAAMAPT
SCHEMBL1069876 0.78 LMNA (0.49) CYP3A4HTTKMT2AGAAMAPT
Hydrochloric Acid SCHEMBL8173542 0.78 KDM4E (0.42) HTTKMT2AMEN1NPC1GAA

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-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
US-20110098429-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 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-20110098429-A1 Catalyst Compounds and Use Thereof ALOX12, THEM6, ALOX15 CTSL 3353/4885CTSB 3002/4885CTSS 2168/4885

“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.