SCHEMBL9735994

SCHEMBL9735994

Cc1ccc(N(N)Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.48
CNR1 P21554 3/20 0.47
AOC3 Q16853 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PYCR1 P32322 1/20 0.40
ALDH1A1 P00352 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
HTT P42858 1/20 0.39

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
Hydrochloric Acid SCHEMBL9736652 0.98 CNR2 (0.47) CNR2CNR1AOC3CYP2C19RAB9A
SCHEMBL9737481 0.90 AOC3 (0.45) CNR2CNR1AOC3RAB9AL3MBTL1
SCHEMBL21939042 0.90 CYP2C19 (0.50) CNR2CNR1CYP2C19PYCR1ALDH1A1
Hydrochloric Acid SCHEMBL9518394 0.88 AOC3 (0.44) CNR2CNR1AOC3RAB9APYCR1
SCHEMBL9189354 0.82 CNR2 (0.49) CNR2CNR1AOC3RAB9AMEN1
SCHEMBL934572 0.81 BCL2A1 (0.51) CNR2CNR1AOC3RAB9ANPC1
SCHEMBL9737153 0.81 GBA1 (0.41) AOC3MEN1KMT2ALMNAPYCR1
SCHEMBL9879437 0.81 SLC6A2 (0.47) CNR2CNR1AOC3MEN1KMT2A
SCHEMBL28980138 0.81 AOC3 (0.47) CNR2CNR1AOC3CYP2C19MEN1
Hydrochloric Acid SCHEMBL9671755 0.81 AOC3 (0.47) CNR2CNR1AOC3POLBPYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
US-5081145-A Contractile prostaglandin antagonists MERCK FROSST CANADA, INC. (CA) 1992-01-14 US disclosed
EP-0166591-B1 INDOLE-2-ALKANOIC ACIDS AND THEIR USE AS PROSTAGLANDIN ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1989-11-23 EP disclosed
EP-0166591-A2 Indole-2-alkanoic acids and their use as prostaglandin antagonists MERCK FROSST CANADA INC. (CA) 1986-01-02 EP 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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO CNR2 333/4885CNR1 514/4885AOC3 3975/4885

“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.