SCHEMBL5397882

SCHEMBL5397882

CC(C)(C)NNc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.55
ALDH1A1 P00352 4/20 0.55
CTSD P07339 1/20 0.55
TSHR P16473 3/20 0.43
CYP3A4 P08684 3/20 0.43
ALOX5 P09917 2/20 0.43
HSD17B10 Q99714 2/20 0.41
ALOX12 P18054 3/20 0.39
PTGS2 P35354 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2B P41595 1/20 0.39
GAA P10253 5/20 0.39
CYP2C19 P33261 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38

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
SCHEMBL21214205 0.75 ALDH1A1 (0.42) TDP1ALDH1A1CYP3A4ALOX12MAPK1
SCHEMBL9806628 0.75 ALDH1A1 (0.44) TDP1ALDH1A1CTSDTSHRCYP3A4
SCHEMBL839250 0.74 ALDH1A1 (0.55) TDP1ALDH1A1CTSDTSHRCYP3A4
Hydrazobenzene SCHEMBL51179 0.73 ALDH1A1 (1.00) TDP1ALDH1A1CTSDTSHRCYP3A4
SCHEMBL19737269 0.73 ALDH1A1 (1.00) TDP1ALDH1A1CTSDTSHRCYP3A4
SCHEMBL50034 0.72 TSHR (0.48) TDP1ALDH1A1CTSDTSHRCYP3A4
Bromide SCHEMBL28378200 0.72 ALDH1A1 (0.52) TDP1ALDH1A1CTSDTSHRCYP3A4
SCHEMBL9172014 0.72 ALDH1A1 (0.52) TDP1ALDH1A1CTSDTSHRCYP3A4
Hydrochloric Acid SCHEMBL2497266 0.72 ALDH1A1 (0.52) TDP1ALDH1A1CTSDTSHRCYP3A4
SCHEMBL22402904 0.72 KIF11 (0.50) ALDH1A1IDO1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11203708-B2 Gas generating compositions SAUDI ARABIAN OIL COMPANY (SA) 2021-12-21 US disclosed
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof BIOIMICS AB (SE) 2021-09-28 US disclosed
US-20210047552-A1 GAS GENERATING COMPOSITIONS ARAMCO SERVICES COMPANY 2021-02-18 US disclosed
US-10858565-B2 Gas generating compositions SAUDI ARABIAN OIL COMPANY (SA) 2020-12-08 US disclosed
US-10590326-B1 Storable gas generating compositions SAUDI ARABIAN OIL COMPANY (SA) 2020-03-17 US disclosed
US-20190233384-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2019-08-01 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
WO-2002017912-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed
EP-1165693-A2 SQUARAINE DYES Amersham Pharmacia Biotech UK Limited (GB) 2002-01-02 EP disclosed
WO-2000058405-A2 SQUARAINE DYES AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2000-10-05 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 (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-20190233384-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF ELANE, MPO, NISCH TDP1 3898/4885ALDH1A1 876/4885CTSD 544/4885
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof ELANE, MPO, NISCH TDP1 3898/4885ALDH1A1 876/4885CTSD 544/4885

“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.