SCHEMBL3436360

SCHEMBL3436360

Cc1ccccc1N1CCSCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.60
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
AKR1C3 P42330 1/20 0.46
SLC18A3 Q16572 1/20 0.46
ATM Q13315 2/20 0.45
KMT2A Q03164 1/20 0.45
HTR7 P34969 2/20 0.44
TSHR P16473 1/20 0.44
ACHE P22303 1/20 0.43
AVPR1A P37288 1/20 0.43
AR P10275 2/20 0.43
LGMN Q99538 1/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL4291189 0.84 ADRB1 (0.72) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL9059565 0.81 LGMN (0.46) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL329301 0.80 ADRB1 (0.67) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL27961590 0.80 ADRB1 (0.67) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL31468714 0.78 ADRB1 (0.64) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL21065768 0.78 ADRB1 (0.64) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
Lithium SCHEMBL31448665 0.78 ADRB1 (0.64) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL16446848 0.78 ADRB1 (0.64) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
Bromide SCHEMBL7300370 0.78 ADRB1 (0.64) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2332676 0.78 ADRB1 (0.64) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ADRB1 37/4885ALDH1A1 975/4885HPGD 1166/4885

“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.