SCHEMBL2393864

SCHEMBL2393864

Clc1ccccc1-c1[c]cccc1-c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
LTA4H P09960 1/20 0.37
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL2393866 0.87 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3176511 0.83 LTA4H (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL19128312 0.81 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1310734 0.80 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL29498757 0.80 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8560761 0.79 CYP2A6 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL19127528 0.78 KDM4E (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3990580 0.77 CYP2A6 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7458982 0.74 CYP2A6 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4252928 0.74 KDM4E (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1

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
US-8026263-B2 Methods for inhibiting neoproliferative changes in blood vessel walls THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-27 US disclosed
US-20090048270-A1 Compounds, Methods And Devices for Inhibiting Neoproliferative Changes in Blood Vessel Walls NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-19 US disclosed
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-12-20 US disclosed
US-7235577-B1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 US disclosed
US-6803375-B1 IMMUNOMODULATION IN A MAMMALIAN PATIENT WITHOUT CAUSING SUBSTANTIAL INHIBITION OF CYTOCHROME P-450 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-10-12 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 (2 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-20090048270-A1 Compounds, Methods And Devices for Inhibiting Neoproliferative Changes in Blood Vessel Walls PGF, VEGFA, MKI67 ALDH1A1 545/4885NPC1 1196/4885RAB9A 1955/4885
US-20070293554-A1 Non-peptide inhibition of T-lymphocyte activation and therapies related thereto NFATC1, ORAI1, KCNMA1 ALDH1A1 2842/4885NPC1 2816/4885RAB9A 2837/4885

“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.