SCHEMBL17673305

SCHEMBL17673305

C[C@H](CC(=O)O)Nc1c(Br)ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.36
HTT P42858 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 3/20 0.36
AKR1B1 P15121 1/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIM1 P11309 1/20 0.34
PTGER4 P35408 1/20 0.33

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
SCHEMBL19518201 1.00 KMT2A (0.38) KMT2AMEN1LMNAMAPTHTT
SCHEMBL19518192 0.85 PIM1 (0.40) KMT2ALMNAMAPTHTTCYP1A2
SCHEMBL17680858 0.85 KMT2A (0.38) KMT2AMEN1LMNAMAPTHTT
SCHEMBL17673268 0.85 PIM1 (0.40) KMT2ALMNAMAPTHTTCYP1A2
SCHEMBL17673210 0.84 KDM4E (0.41) KMT2AMEN1LMNAMAPTCYP1A2
SCHEMBL19518336 0.84 KDM4E (0.41) KMT2AMEN1LMNAMAPTCYP1A2
SCHEMBL30993661 0.81 GRIN2D (0.39) KMT2AMEN1LMNAMAPTHTT
SCHEMBL17673191 0.77 CYP1A2 (0.47) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19518237 0.77 CYP1A2 (0.47) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19518324 0.75 ALDH1A1 (0.43) KMT2AMEN1LMNAMAPTHTT

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 8 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-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 KMT2A 264/4885MEN1 1807/4885LMNA 2049/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 KMT2A 264/4885MEN1 1807/4885LMNA 2049/4885

“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.