SCHEMBL6670697

SCHEMBL6670697

CC(=O)Cc1ccnc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
LOXL2 Q9Y4K0 1/20 0.55
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NCF1 P14598 1/20 0.44
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
NPC1 O15118 1/20 0.43
ESR1 P03372 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
PTK2B Q14289 1/20 0.43
FAAH O00519 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL28001770 0.85 LOXL2 (0.58) CYP1A2LOXL2MEN1KMT2ANCF1
SCHEMBL5456634 0.84 CYP1A2 (0.67) CYP1A2LOXL2MEN1KMT2ANCF1
SCHEMBL25139494 0.83 CYP1A2 (0.57) CYP1A2LOXL2MEN1KMT2ANCF1
SCHEMBL3775943 0.82 CYP1A2 (0.60) CYP1A2LOXL2NCF1HTR1AADRA1D
Hydrochloric Acid SCHEMBL3805296 0.82 CYP1A2 (0.65) CYP1A2LOXL2MEN1KMT2ANCF1
SCHEMBL5508700 0.82 CYP1A2 (0.60) CYP1A2LOXL2NCF1HTR1AADRA1D
SCHEMBL21820732 0.80 LOXL2 (0.49) CYP1A2LOXL2MEN1KMT2A
SCHEMBL29987166 0.79 CYP1A2 (0.61) CYP1A2LOXL2MEN1KMT2ANCF1
SCHEMBL5239658 0.79 CYP1A2 (0.61) CYP1A2LOXL2MEN1KMT2ANCF1
SCHEMBL6174947 0.79 PKM (0.54) CYP1A2LOXL2MEN1KMT2ASMN1; 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
WO-2004026302-A1 METHODS OF INHIBITING TGF BETA WITH SUBSTITUTED PYRAZOLES ELI LILLY AND COMPANY (US) 2004-04-01 WO 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 CYP1A2 2884/4885LOXL2 1956/4885MEN1 1249/4885

“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.