Sugi Predict

Sugi Predict / Compounds / SCHEMBL17673191

SCHEMBL17673191

SCHEMBL17673191

C[C@H](CC(=O)O)Nc1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.47
▸ TSHR P16473 2/20 0.47
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ HCAR3 P49019 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 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
SCHEMBL19518237 1.00 CYP1A2 (0.47) CYP1A2TSHRPOLBALDH1A1CYP3A4
SCHEMBL17680841 0.84 CYP1A2 (0.44) CYP1A2TSHRPOLBALDH1A1CYP3A4
SCHEMBL17673293 0.81 ALDH1A1 (0.45) CYP1A2TSHRPOLBALDH1A1CYP3A4
SCHEMBL17673278 0.81 ALDH1A1 (0.45) CYP1A2TSHRPOLBALDH1A1CYP3A4
SCHEMBL29154919 0.80 ALDH1A1 (0.40) CYP1A2TSHRPOLBALDH1A1CYP3A4
SCHEMBL17673257 0.80 ALDH1A1 (0.43) CYP1A2TSHRPOLBALDH1A1CYP3A4
SCHEMBL19518324 0.80 ALDH1A1 (0.43) CYP1A2TSHRPOLBALDH1A1CYP3A4
SCHEMBL17673169 0.80 ALDH1A1 (0.43) CYP1A2TSHRPOLBALDH1A1CYP3A4
SCHEMBL19518273 0.80 ALDH1A1 (0.43) CYP1A2TSHRPOLBALDH1A1CYP3A4
SCHEMBL31023042 0.79 ALDH1A1 (0.45) CYP1A2TSHRPOLBALDH1A1CYP3A4

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 9 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

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 CYP1A2 4096/4885TSHR 4022/4885POLB 1841/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 CYP1A2 4096/4885TSHR 4022/4885POLB 1841/4885

“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.