SCHEMBL10144182

SCHEMBL10144182

N#CC(C#N)=Cc1ccccc1NCc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
TRPA1 O75762 1/20 0.42
LMNA P02545 3/20 0.40
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
KDM6B O15054 1/20 0.40
KDM4A O75164 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
HTR6 P50406 1/20 0.39

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
SCHEMBL874328 0.77 ALDH1A1 (0.46) HPGDMAPTHTTLMNAALDH1A1
SCHEMBL7559863 0.74 KDM4E (0.58) HPGDMAPTHTTLMNAALDH1A1
SCHEMBL10408359 0.73 KMT2A (0.56) HPGDMAPTHTTLMNAALDH1A1
SCHEMBL22306362 0.72 LMNA (0.43) HPGDMAPTHTTLMNAALDH1A1
SCHEMBL9536836 0.68 KCNH3 (0.47) HPGDMAPTHTTLMNAALDH1A1
SCHEMBL8650349 0.68 TRPA1 (0.49) MAPTTRPA1LMNAALDH1A1KDM4E
SCHEMBL11123504 0.67 KMT2A (0.46) HPGDMAPTHTTLMNAALDH1A1
SCHEMBL453628 0.67 KDM4E (0.68) HPGDMAPTHTTALDH1A1KDM4E
SCHEMBL1742362 0.67 AURKA (0.56) HPGDMAPTHTTLMNAALDH1A1
SCHEMBL11123502 0.66 SMN1; SMN2 (0.45) HPGDMAPTHTTALDH1A1KDM4E

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
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 US disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 US disclosed
WO-2012012278-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED (US) 2012-01-26 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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 HPGD 1017/4885MAPT 3699/4885HTT 2588/4885

“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.