SCHEMBL1038308

SCHEMBL1038308

CCCCNC(=O)c1ccc(C(C(=O)OCC)N(C)C)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 6/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
NAAA Q02083 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
VDR P11473 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ATM Q13315 1/20 0.34
TP53 P04637 1/20 0.34

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
Hydrochloric Acid SCHEMBL5655696 0.99 TSHR (0.38) TSHRHTTHPGDKDM4EALDH1A1
SCHEMBL1041732 0.79 RAB9A (0.44) TSHRHPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1038962 0.78 TSHR (0.40) TSHRHTTHPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5655535 0.78 RAB9A (0.44) TSHRHPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1039363 0.78 TSHR (0.46) TSHRHTTHPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5655852 0.77 ALDH1A1 (0.40) TSHRHTTHPGDKDM4EALDH1A1
SCHEMBL1042117 0.75 HTT (0.40) TSHRHTTHPGDSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL5655231 0.74 HTT (0.39) TSHRHTTSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL5654423 0.74 HDAC3 (0.38) TSHRHTTHPGDKDM4EALDH1A1
SCHEMBL6273728 0.68 HTT (0.47) TSHRHTTHPGDKDM4EALDH1A1

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
EP-1581490-B1 SUBSTITUTED 5-AMINOMETHYL-1H-PYRROLE-2-CARBOXAMIDES GRUENENTHAL GMBH (DE) 2011-01-26 EP claimed
US-7229991-B2 Substituted 5-aminomethyl-1H-pyrrole-2-carboxamides GRUENENTHAL GMBH (DE) 2007-06-12 US claimed
US-20050288342-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxamides GRUENENTHAL GMBH (DE) 2005-12-29 US claimed
US-7229991-B2 Substituted 5-aminomethyl-1H-pyrrole-2-carboxamides GRUENENTHAL GMBH (DE) 2007-06-12 US disclosed
US-20050288342-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxamides GRUENENTHAL GMBH (DE) 2005-12-29 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-20050288342-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxamides QPCT, PGA5, ALDH18A1 TSHR 3081/4885HTT 1897/4885HPGD 861/4885

“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.