SCHEMBL19643097

SCHEMBL19643097

CNCc1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR35 Q9HC97 2/20 0.40
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 7/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2D6 P10635 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
NOS1 P29475 1/20 0.36
CYP2C19 P33261 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL16268529 0.84 TDP1 (0.42) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL14253669 0.81 TDP1 (0.48) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL30876460 0.80 TDP1 (0.39) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL12088382 0.80 GPR35 (0.51) TDP1TSHRSMN1; SMN2GPR35MEN1
SCHEMBL13545420 0.80 TDP1 (0.44) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL29704507 0.79 TDP1 (0.47) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL162263 0.79 TDP1 (0.47) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL30714381 0.78 TDP1 (0.46) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL28879852 0.78 TAAR1 (0.43) ALDH1A1MEN1KMT2AKDM4ECYP3A4
SCHEMBL19301918 0.78 ALDH1A1 (0.57) TDP1SMN1; SMN2ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4067347-B1 HETEROCYCLIC INHIBITORS OF CBP/EP300 FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2024-06-19 EP disclosed
EP-4067347-A1 HETEROCYCLIC INHIBITORS OF CBP/EP300 FOR THE TREATMENT OF CANCER Genentech, Inc. (US) 2022-10-05 EP disclosed
US-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 US disclosed
US-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 US disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 US disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 US disclosed
US-10696655-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2020-06-30 US disclosed
US-10696655-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2020-06-30 US disclosed
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-05-23 US disclosed
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-05-23 US disclosed
EP-3464270-A2 HETEROCYCLIC INHIBITORS OF CBP/EP300 AND THEIR USE IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2019-04-10 EP disclosed
WO-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
WO-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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 (4 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-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC3 TDP1 2914/4885TSHR 1859/4885SMN1; SMN2 1868/4885
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC11 TDP1 2774/4885TSHR 1969/4885SMN1; SMN2 1691/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 TDP1 2774/4885TSHR 1969/4885SMN1; SMN2 1691/4885
US-10696655-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 TDP1 2774/4885TSHR 1969/4885SMN1; SMN2 1691/4885

“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.