SCHEMBL354108

SCHEMBL354108

NCc1cc(Cl)c2c(c1)OCO2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.41
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 2/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPK8 P45983 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LARS1 Q9P2J5 1/20 0.33
ALDH2 P05091 1/20 0.33

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 SCHEMBL27246692 0.98 TAAR1 (0.40) TAAR1ALDH1A1CYP3A4SMN1; SMN2SLC6A4
SCHEMBL18124641 0.84 MAPK8 (0.46) SMN1; SMN2NPC1RAB9AMAPK8LARS1
SCHEMBL1464593 0.83 CYP3A4 (0.39) TAAR1ALDH1A1CYP3A4SMN1; SMN2SLC6A4
SCHEMBL1465595 0.81 NPC1 (0.40) ALDH1A1CYP3A4SMN1; SMN2NPC1RAB9A
SCHEMBL5024362 0.81 ALDH1A1 (0.45) TAAR1ALDH1A1CYP3A4SMN1; SMN2SLC6A4
SCHEMBL1465462 0.77 ALDH1A1 (0.36) TAAR1ALDH1A1CYP3A4SMN1; SMN2NPC1
SCHEMBL5018742 0.77 TAAR1 (0.41) TAAR1ALDH1A1CYP3A4SMN1; SMN2SLC6A4
SCHEMBL12219465 0.77 CYP3A4 (0.36) TAAR1ALDH1A1CYP3A4SMN1; SMN2SLC6A4
SCHEMBL21370005 0.75 CYP3A4 (0.41) ALDH1A1CYP3A4NPC1RAB9AMEN1
SCHEMBL11081166 0.74 AHR (0.47) ALDH1A1CYP3A4SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197694-A1 MODIFIED PROTEINS AND PROTEIN BINDERS CULLGEN (SHANGHAI), INC. (CN) 2024-06-20 US disclosed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO 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 (2 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA TAAR1 4278/4885ALDH1A1 2806/4885CYP3A4 1232/4885
US-20240197694-A1 MODIFIED PROTEINS AND PROTEIN BINDERS DCAF1, DDB1, CUL4A TAAR1 3856/4885ALDH1A1 2985/4885CYP3A4 2778/4885

“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.