SCHEMBL31097161

SCHEMBL31097161

c1ccc2cc(CN3CCCC3)ccc2c1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.77
CHKA P35790 1/20 0.73
HRH3 Q9Y5N1 2/20 0.69
ACHE P22303 1/20 0.68
PKM P14618 1/20 0.68
MC4R P32245 1/20 0.62
MC5R P33032 1/20 0.62
OPRL1 P41146 2/20 0.56
SIGMAR1 Q99720 1/20 0.55
FAAH O00519 1/20 0.55
MEN1 O00255 1/20 0.54

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
SCHEMBL5195380 0.98 KMT2A (0.74) KMT2ACHKAHRH3ACHEPKM
SCHEMBL31010303 0.98 KMT2A (0.74) KMT2ACHKAHRH3ACHEPKM
Hydrochloric Acid SCHEMBL16825143 0.96 KMT2A (0.72) KMT2ACHKAHRH3ACHEPKM
SCHEMBL31392631 0.96 CHKA (0.79) KMT2ACHKAHRH3ACHEPKM
SCHEMBL27999347 0.92 KMT2A (0.89) KMT2ACHKAHRH3ACHEPKM
SCHEMBL8852275 0.90 CHKA (0.67) KMT2ACHKAHRH3ACHEPKM
SCHEMBL4750742 0.87 KMT2A (1.00) KMT2ACHKAACHEPKMMC4R
SCHEMBL13940581 0.87 CHKA (0.76) KMT2ACHKAHRH3ACHEPKM
SCHEMBL10135595 0.85 SLC6A4 (0.64) KMT2ACHKAHRH3ACHEPKM
SCHEMBL6377576 0.85 KMT2A (0.72) KMT2ACHKAHRH3ACHEPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350210-A Preparation method of naphthalene derivative with nitrogen-containing heterocycle 苏州爱玛特生物科技有限公司 2025-01-24 CN disclosed
US-20240294498-A1 FACTOR XIIA INHIBITORS LUNAC THERAPEUTICS LTD (GB) 2024-09-05 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-20240294498-A1 FACTOR XIIA INHIBITORS F11, F13B, F7 KMT2A 3026/4885CHKA 2760/4885HRH3 2335/4885

“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.