SCHEMBL4606040

SCHEMBL4606040

CN1CCN(c2ccccc2SCC(=O)CNc2cccc(C(=O)O)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
HTR1A P08908 4/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F10 P00742 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HTR7 P34969 2/20 0.39
POLB P06746 2/20 0.38
MAPK1 P28482 1/20 0.38
HTR3A P46098 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL4605500 0.90 AKR1C3 (0.48) AKR1C3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4603446 0.88 POLB (0.47) AKR1C3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4606142 0.80 AKR1C3 (0.46) AKR1C3HTR1AHTR1DHTR1BNPC1
SCHEMBL4617066 0.79 AKR1C3 (0.52) AKR1C3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4604101 0.78 AKR1C3 (0.45) AKR1C3HTR1AHTR1DHTR1BNPC1
SCHEMBL4604616 0.71 HTR2C (0.40) HTR1ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4606307 0.69 AKR1C3 (0.48) AKR1C3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4603316 0.69 MAPK1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL4603923 0.68 AKR1C3 (0.46) AKR1C3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4605194 0.68 ALDH1A1 (0.50) AKR1C3NPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720825-B1 ANTHRANILIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USE AS DHODH INHIBITORS ACTIVE BIOTECH AB (SE) 2008-07-09 EP disclosed
US-7074831-B2 Compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2006-07-11 US disclosed
US-20050187297-A1 New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2005-08-25 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-20050187297-A1 New compounds, methods for their preparation and use thereof MALT1, TPMT, FUCA1 AKR1C3 246/4885HTR1A 4284/4885HTR1D 4451/4885

“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.