SCHEMBL18985805

SCHEMBL18985805

Nc1ccc(-c2cnn(CC3CCC3)c2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PI4KA P42356 1/20 0.48
PIK3CG P48736 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.42
GALR3 O60755 1/20 0.39
THRB P10828 1/20 0.39
VCP P55072 1/20 0.38
CREBBP Q92793 2/20 0.38
LRRK2 Q5S007 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 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
SCHEMBL18985766 0.98 MAPT (0.50) MAPTTDP1MEN1KMT2APOLB
SCHEMBL20721019 0.95 PIK3CD (0.53) MAPTTDP1MEN1KMT2APOLB
SCHEMBL20720949 0.86 MAPT (0.47) MAPTTDP1MEN1KMT2APOLB
SCHEMBL18985952 0.83 MAPT (0.49) MAPTTDP1MEN1KMT2APOLB
SCHEMBL18985739 0.83 PIK3CD (0.56) TDP1MEN1KMT2APIK3CDPIK3CA
SCHEMBL18985609 0.82 MAPT (0.48) MAPTTDP1MEN1KMT2APOLB
SCHEMBL18985916 0.81 MAPT (0.58) MAPTTDP1MEN1KMT2APOLB
SCHEMBL18985448 0.80 PIK3CD (0.56) TDP1MEN1KMT2APIK3CDPIK3CA
SCHEMBL18986014 0.78 MAPT (0.54) MAPTTDP1MEN1KMT2APOLB
SCHEMBL18986003 0.78 PIK3CD (0.62) TDP1MEN1KMT2APIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390387-B1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma AG (DE) 2021-11-17 EP disclosed
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 US disclosed
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 US disclosed
EP-3390387-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-10-24 EP disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 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-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS CCNI, CCNT2, CDK2 MAPT 4405/4885TDP1 1833/4885MEN1 1007/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 MAPT 4405/4885TDP1 1833/4885MEN1 1007/4885

“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.