SCHEMBL3262116

SCHEMBL3262116

NC(=O)Cc1c[nH]c2ccccc12.NC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
ALDH1A1 P00352 5/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
KDM4E B2RXH2 2/20 0.68
HPGD P15428 1/20 0.68
LMNA P02545 2/20 0.64
GAA P10253 2/20 0.64
SLC6A2 P23975 1/20 0.64
FNTA P49354 1/20 0.64
FNTB P49356 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
PKM P14618 1/20 0.60
CYP3A4 P08684 2/20 0.58
AHR P35869 1/20 0.58
GPR84 Q9NQS5 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MPO P05164 2/20 0.58
TSHR P16473 1/20 0.58

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
SCHEMBL40822 1.00 MAPT (0.68) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29376364 1.00 MAPT (0.68) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4598405 0.98 MAPT (0.66) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL30295582 0.98 MAPT (0.66) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Acetic Acid SCHEMBL27760596 0.94 MEN1 (0.65) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Tryptamine SCHEMBL28351329 0.91 CYP1A2 (0.73) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5656023 0.89 MAPT (0.60) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5717728 0.86 MAPT (0.73) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Indole-3-Acetic Acid SCHEMBL2269865 0.86 MAPT (0.69) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL24577957 0.86 MAPT (0.68) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 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 (1 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-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 MAPT 3593/4885ALDH1A1 3171/4885MEN1 2253/4885

“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.