SCHEMBL19910604

SCHEMBL19910604

Cc1cccc2c1ccn2Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.65
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
APP P05067 3/20 0.52
KCNA3 P22001 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
SNCA P37840 2/20 0.48
P2RX7 Q99572 1/20 0.47
SLC2A1 P11166 1/20 0.46
BRD4 O60885 1/20 0.46
NOTUM Q6P988 1/20 0.45

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
SCHEMBL6087170 0.87 HTR2A (0.53) HTR6HTR2AHTR2CAPPTP53
SCHEMBL6086279 0.85 HTR6 (0.52) HTR6HTR2AHTR2CMEN1KMT2A
SCHEMBL1775925 0.81 HTR6 (0.62) HTR6APPKCNA3MEN1KMT2A
SCHEMBL10269146 0.80 HTR6 (0.61) HTR6APPKCNA3MEN1KMT2A
SCHEMBL4056966 0.79 HTR6 (0.60) HTR6APPKCNA3MEN1KMT2A
SCHEMBL28886952 0.79 HTR6 (0.60) HTR6HTR2AHTR2CAPPKCNA3
SCHEMBL4937586 0.79 HTR6 (0.60) HTR6APPKCNA3MEN1KMT2A
SCHEMBL29880153 0.79 HTR6 (0.60) HTR6APPKCNA3MEN1KMT2A
SCHEMBL8616920 0.79 HTR6 (0.60) HTR6HTR2CAPPKCNA3MEN1
SCHEMBL29055459 0.79 HTR6 (0.60) HTR6APPKCNA3MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-03-01 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 (4 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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 HTR6 4816/4885HTR2A 4881/4885HTR2C 4884/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 HTR6 4870/4885HTR2A 4876/4885HTR2C 4875/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 HTR6 4816/4885HTR2A 4881/4885HTR2C 4884/4885
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX HTR6 2732/4885HTR2A 2333/4885HTR2C 2597/4885

“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.