SCHEMBL14740673

SCHEMBL14740673

O=C1C(=O)N(Cc2ccc3ccccc3c2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.68
ACHE P22303 2/20 0.68
ALDH1A1 P00352 5/20 0.68
BCHE P06276 3/20 0.68
APAF1 O14727 1/20 0.68
TP53 P04637 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
MAPT P10636 1/20 0.68
ALOX15 P16050 1/20 0.68
TSHR P16473 1/20 0.68
ALOX12 P18054 1/20 0.68
HSD17B10 Q99714 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
ALDH3A1 P30838 4/20 0.67
CHRM1 P11229 3/20 0.67
CTRB1 P17538 1/20 0.67
ALDH2 P05091 1/20 0.67
CES2 O00748 1/20 0.66

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
SCHEMBL18288159 0.85 CES1 (0.90) CES1ACHEALDH1A1BCHEAPAF1
SCHEMBL2569297 0.82 PABPC1 (0.60) ALDH1A1CYP1A2MAPTALOX15TSHR
SCHEMBL18954967 0.82 CTRB1 (0.63) CTRB1
SCHEMBL29487533 0.81 ALDH1A1 (1.00) CES1ACHEALDH1A1BCHEAPAF1
SCHEMBL5426477 0.81 ALDH1A1 (1.00) CES1ACHEALDH1A1BCHEAPAF1
SCHEMBL30951984 0.81 CES1 (0.68) CES1ACHEALDH1A1BCHEAPAF1
SCHEMBL4595404 0.81 CES1 (0.68) CES1ACHEALDH1A1BCHEAPAF1
SCHEMBL30081910 0.81 ALDH1A1 (1.00) CES1ACHEALDH1A1BCHEAPAF1
SCHEMBL18974146 0.81 CES1 (0.66) CES1ACHEALDH1A1BCHEAPAF1
SCHEMBL29506660 0.80 ALDH1A1 (1.00) CES1ACHEALDH1A1BCHEAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267329-A1 Dihydro-Spiro[Indoline-3:1'-Isoquinolin]-2-Ones and Their Analogues and Derivatives and Methods of Treating Cancer and Other Diseases THE UNIV OF BUEA (CM) 2022-08-25 US disclosed
WO-2020183307-A1 DIHYDRO-SPIRO[INDOLINE-3:1'-ISOQUINOLIN]-2-ONES AND THEIR ANALOGUES AND DERIVATIVES AND METHODS OF TREATING CANCER AND OTHER DISEASES THE UNIVERSITY OF BUEA (CM) 2020-09-17 WO disclosed
WO-2017099695-A1 N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS ISTANBUL UNIVERSITESI REKTORLUGU (TR) 2017-06-15 WO disclosed
US-9598441-B2 Therapeutic compounds and methods WAYNE STATE UNIVERSITY (US) 2017-03-21 US disclosed
US-9598441-B2 Therapeutic compounds and methods WAYNE STATE UNIVERSITY (US) 2017-03-21 US disclosed
US-9598441-B2 Therapeutic compounds and methods WAYNE STATE UNIVERSITY (US) 2017-03-21 US disclosed
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2014-08-07 US disclosed
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2014-08-07 US disclosed
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2014-08-07 US disclosed
EP-2750508-A1 THERAPEUTIC COMPOUNDS AND METHODS Wayne State University (US) 2014-07-09 EP disclosed
WO-2013033392-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2013-03-07 WO disclosed
WO-2013033392-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2013-03-07 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-20220267329-A1 Dihydro-Spiro[Indoline-3:1'-Isoquinolin]-2-Ones and Their Analogues and Derivatives and Methods of Treating Cancer and Other Diseases S1PR3, S1PR1, S1PR2 CES1 2269/4885ACHE 4096/4885ALDH1A1 1086/4885
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS XPOT, FANCI, XPO5 CES1 655/4885ACHE 3598/4885ALDH1A1 196/4885

“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.