SCHEMBL16592129

SCHEMBL16592129

Cc1cc(=O)n(C)c(CCc2ccc(Cl)c3ccccc23)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.42
KMT2A Q03164 2/20 0.38
DHODH Q02127 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
GPR84 Q9NQS5 2/20 0.36
GSK3B P49841 1/20 0.36
EGFR P00533 1/20 0.35
MET P08581 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NQO2 P16083 1/20 0.35
BACE1 P56817 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
CASR P41180 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
SCHEMBL16589271 0.84 KMT2A (0.36) HTR2CKMT2ADHODHL3MBTL1MEN1
SCHEMBL16592134 0.78 HTR2C (0.48) HTR2CKMT2AL3MBTL1MEN1GPR84
SCHEMBL15075409 0.70 KDM4E (0.41) HTR2CKMT2AMEN1GPR84GSK3B
SCHEMBL8901945 0.68 SMN1; SMN2 (0.42) DHODHL3MBTL1EGFRMETKDM4E
SCHEMBL16592161 0.68 CASR (0.55) HTR2CBACE1CASR
SCHEMBL14444102 0.64 CYP1A2 (0.59) KMT2AGPR84KDM4EPOLB
SCHEMBL16592145 0.63 HTR2C (0.64) HTR2CL3MBTL1KDM4E
SCHEMBL16592155 0.62 HTR2C (0.43) HTR2C
SCHEMBL8851892 0.61 CYP1A2 (0.54) KMT2AL3MBTL1MEN1GPR84
SCHEMBL1254359 0.61 TAAR1 (0.57) HTR2CGPR84

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-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-26 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-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs TNNC1, TNNI3, IAPP HTR2C 4209/4885KMT2A 2967/4885DHODH 1129/4885

“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.