SCHEMBL4522173

SCHEMBL4522173

CN(Sc1ccccc1)C(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
FFAR1 O14842 1/20 0.38
TSHR P16473 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
SCN2A Q99250 1/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MGLL Q99685 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL11767314 0.83 HPGD (0.41) ALDH1A1HPGDFFAR1RAB9ANPC1
SCHEMBL11760405 0.82 SCN2A (0.39) ALDH1A1HPGDTSHRSMN1; SMN2SCN2A
Fluoride SCHEMBL11728897 0.81 HPGD (0.39) ALDH1A1HPGDFFAR1RAB9ANPC1
SCHEMBL11680470 0.80 SMN1; SMN2 (0.39) ALDH1A1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL2981447 0.79 SCN2A (0.40) ALDH1A1HPGDFFAR1TSHRRAB9A
SCHEMBL11092905 0.79 HPGD (0.38) ALDH1A1HPGDFFAR1RAB9ANPC1
SCHEMBL11528680 0.76 LMNA (0.42) ALDH1A1HPGDFFAR1RAB9ANPC1
SCHEMBL6916757 0.71 FFAR1 (0.41) ALDH1A1HPGDFFAR1TSHRRAB9A
SCHEMBL18499751 0.70 MGLL (0.41) ALDH1A1HPGDFFAR1TSHRSMN1; SMN2
SCHEMBL19664731 0.70 HPGD (0.45) ALDH1A1HPGDFFAR1MTNR1AMTNR1B

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
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-19 US disclosed
EP-0009324-A1 Substituted 1-benzoyl-3-thiosemicarbazides, their manufacture and use as plant growth regulants, and agricultural formulations comprising them Gulf Oil Corporation (US) 1980-04-02 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-20090075980-A1 Pyrazolopyridines and Analogs Thereof IL4, IL4I1, IL2 ALDH1A1 1406/4885HPGD 83/4885FFAR1 3861/4885

“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.