SCHEMBL17621604

SCHEMBL17621604

CCc1ccc(Cl)c2c(NC(=O)c3ccno3)nn(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ MAPK10 P53779 1/20 0.37
▸ PYGM P11217 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ CSNK1D P48730 2/20 0.36
▸ CSNK1E P49674 2/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CSF1R P07333 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ESR2 Q92731 1/20 0.34

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
SCHEMBL16157859 0.88 GAA (0.46) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL19788829 0.85 KMT2A (0.42) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL17697582 0.80 NR3C2 (0.34) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL17697579 0.80 CYP3A4 (0.41) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL16158000 0.79 KMT2A (0.43) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL17697553 0.79 CASP1 (0.40) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL17621602 0.78 SMN1; SMN2 (0.37) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL17621512 0.77 CASP1 (0.34) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL17621574 0.76 ALDH1A1 (0.36) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL16158001 0.74 CRHR1 (0.36) MAPT

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-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 — — 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-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KMT2A 4702/4885MEN1 2641/4885GAA 18/4885

“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.

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