SCHEMBL17673169

SCHEMBL17673169

C[C@H](CC(=O)O)Nc1c(Br)cc(F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HCAR3 P49019 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL19518273 1.00 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19518324 0.85 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17673257 0.85 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19518355 0.84 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17673192 0.84 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31023042 0.84 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19518237 0.80 CYP1A2 (0.47) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17673191 0.80 CYP1A2 (0.47) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2132913 0.78 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17673268 0.75 PIM1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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
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
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 1533/4885CYP1A2 4096/4885CYP3A4 4261/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 ALDH1A1 1533/4885CYP1A2 4096/4885CYP3A4 4261/4885

“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.