SCHEMBL6403184

SCHEMBL6403184

CCC(CC)Nc1ccnc(CCl)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
POLB P06746 2/20 0.31
HCAR2 Q8TDS4 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL6429943 0.90 MAPT (0.39) HCAR3MAPTMEN1KMT2ACCNA2
SCHEMBL6429939 0.80 MAPT (0.42) HCAR3MAPTMEN1KMT2ACCNA2
SCHEMBL6223842 0.70 ADORA2A (0.45) HCAR3MAPTALDH1A1
SCHEMBL6223839 0.70 ADORA2A (0.45) HCAR3MAPTALDH1A1
SCHEMBL8568162 0.70 MEN1 (0.38) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL11526154 0.70 HCAR3 (0.48) HCAR3MAPTMEN1KMT2APOLB
SCHEMBL7034302 0.69 IDH1 (0.38) MAPTALDH1A1SMN1; SMN2IDO1
SCHEMBL6428301 0.69 MAPT (0.35) HCAR3MAPTMEN1KMT2APOLB
SCHEMBL6221401 0.68 ADORA2A (0.45) HCAR3MAPT
SCHEMBL6221396 0.68 ADORA2A (0.45) HCAR3MAPT

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-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 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-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 HCAR3 360/4885MAPT 1457/4885MEN1 814/4885

“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.