SCHEMBL11040221

SCHEMBL11040221

Nc1nc(-c2ccccc2)c([N+](=O)[O-])s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
MAPT P10636 8/20 0.64
KMT2A Q03164 8/20 0.64
MEN1 O00255 7/20 0.64
MAPK1 P28482 4/20 0.64
HTT P42858 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
PKM P14618 1/20 0.64
CYP1A2 P05177 3/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
GAA P10253 3/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
POLB P06746 1/20 0.49
MYC P01106 1/20 0.45
WDR5 P61964 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL9621677 0.85 MAPT (0.67) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL11321535 0.83 SMN1; SMN2 (0.58) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL11315394 0.83 POLB (0.55) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL11326282 0.83 MYC (0.65) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL11456650 0.81 PTGDR2 (0.49) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL11324014 0.79 GAA (0.57) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL30818066 0.79 MAPT (1.00) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL28819009 0.78 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL11321537 0.78 MYC (0.51) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL11326245 0.78 MYC (0.51) ALDH1A1MAPTKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
EP-3442952-A1 METHODS OF TREATMENT OF CHOLESTASIS AND FIBROSIS Genfit (FR) 2019-02-20 EP disclosed
WO-2017178174-A1 METHODS OF TREATMENT OF CHOLESTASIS AND FIBROSIS GENFIT (FR) 2017-10-19 WO disclosed
US-20170290814-A1 METHODS OF TREATMENT OF CHOLESTASIS AND FIBROSIS GENFIT (FR) 2017-10-12 US disclosed
US-4456668-A DYE BLEACH, TEXTILE DYES CIBA GEIGY AG (CH) 1984-06-26 US disclosed
US-4409143-A TEXTILES, PHOTOGRAPHY CIBA-GEIGY AG (CH) 1983-10-11 US disclosed
EP-0083009-A1 Dispersion dyestuffs BASF Aktiengesellschaft (DE) 1983-07-06 EP disclosed
US-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed
EP-0040171-A2 Azo dyestuffs, methods for their preparation and their use as colouring agents in the silver dyestuff bleaching process CIBA-GEIGY AG (CH) 1981-11-18 EP disclosed
US-4252530-A USING A BASE AS DISCHARGE AGENT IN A DISCHARGE RESIST PASTE AND HEATING CASSELLA AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US 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-20170290814-A1 METHODS OF TREATMENT OF CHOLESTASIS AND FIBROSIS NR1H4, SLC10A1, MMP1 ALDH1A1 748/4885MAPT 4417/4885KMT2A 4164/4885
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 ALDH1A1 1427/4885MAPT 3010/4885KMT2A 1342/4885

“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.