SCHEMBL2315558

SCHEMBL2315558

CCNC(=NS(=O)(=O)c1ccc(OC)c(Cl)c1)N1CC(C)(C)C=N1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.48
HTR2B P41595 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2315550 1.00 HTR6 (0.48) HTR6HTR2BSMN1; SMN2RAB9APOLB
SCHEMBL6883952 1.00 HTR6 (0.48) HTR6HTR2BSMN1; SMN2RAB9APOLB
SCHEMBL12872129 0.87 HTR6 (0.54) HTR6HTR2B
SCHEMBL7997566 0.87 HTR6 (0.55) HTR6HTR2B
SCHEMBL1178934 0.87 HTR6 (0.55) HTR6HTR2B
SCHEMBL1178930 0.87 HTR6 (0.55) HTR6HTR2B
SCHEMBL7996663 0.83 HTR6 (0.56) HTR6HTR2B
SCHEMBL1179907 0.83 HTR6 (0.56) HTR6HTR2B
SCHEMBL1179902 0.83 HTR6 (0.56) HTR6HTR2B
SCHEMBL7988722 0.83 HTR6 (0.49) HTR6HTR2BALDH1A1KMT2A

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-9422244-B2 Synthesis of substituted pyrazoline carboxamidine derivatives ABBVIE BAHAMAS LTD. (BS) 2016-08-23 US disclosed
EP-2528900-B1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBVIE BAHAMAS LTD (BS) 2014-06-11 EP disclosed
US-20130060041-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBOTT HOSPITALS LIMITED (BS) 2013-03-07 US disclosed
EP-2528900-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES Abbott Healthcare Products B.V. (NL) 2012-12-05 EP disclosed
WO-2011092226-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-08-04 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 (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-20130060041-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES HTR6, HTR5A, HTR4 HTR6 1/4885HTR2B 16/4885SMN1; SMN2 4329/4885

“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.