SCHEMBL17673293

SCHEMBL17673293

COC(=O)c1cccc([N+](=O)[O-])c1NC(C)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 2/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GLA P06280 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HCAR3 P49019 1/20 0.40
KCNMA1 Q12791 1/20 0.39

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
SCHEMBL17673278 1.00 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1CYP1A2POLB
SCHEMBL17673191 0.81 CYP1A2 (0.47) ALDH1A1MAPTCYP1A2POLBCYP3A4
SCHEMBL19518237 0.81 CYP1A2 (0.47) ALDH1A1MAPTCYP1A2POLBCYP3A4
SCHEMBL17680841 0.81 CYP1A2 (0.44) ALDH1A1MAPTCYP1A2POLBCYP3A4
SCHEMBL17673133 0.80 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1TSHRGLA
SCHEMBL17673176 0.78 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1CYP1A2POLB
SCHEMBL2085072 0.77 TSHR (0.51) ALDH1A1MAPTMAPK1POLBTSHR
SCHEMBL8128216 0.77 KMT2A (0.56) ALDH1A1MAPTMAPK1TSHRSMN1; SMN2
SCHEMBL14249239 0.77 SMN1; SMN2 (0.49) ALDH1A1MAPTMAPK1POLBTSHR
SCHEMBL15906692 0.76 TSHR (0.50) ALDH1A1MAPTMAPK1CYP1A2POLB

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
CN-107108512-B Therapeutic compounds and uses thereof 基因泰克公司 2021-05-04 CN disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
CN-107108512-A Therapeutic compound and application thereof 基因泰克公司 2017-08-29 CN disclosed
EP-3204360-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2017-08-16 EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 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-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 ALDH1A1 1533/4885MAPT 2745/4885MAPK1 579/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 ALDH1A1 1533/4885MAPT 2745/4885MAPK1 579/4885

“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.