Sugi Predict

Sugi Predict / Compounds / SCHEMBL5795930

SCHEMBL5795930

SCHEMBL5795930

CCC(CC)C(=O)c1ccc(Cl)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A12 P48065 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ GABRA4 P48169 2/20 0.33
▸ GABRE P78334 2/20 0.33
▸ GABRA6 Q16445 2/20 0.33
▸ GABRG1 Q8N1C3 2/20 0.33
▸ GABRG3 Q99928 2/20 0.33
▸ GABRQ Q9UN88 2/20 0.33
▸ HTT P42858 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
SCHEMBL5158128 0.83 SLC6A12 (0.37) SLC6A12L3MBTL1ALDH1A1GABRPGABRD
SCHEMBL29922180 0.82 SLC6A12 (0.36) SLC6A12L3MBTL1ALDH1A1GABRPGABRD
SCHEMBL8801541 0.78 ALDH1A1 (0.38) L3MBTL1ALDH1A1HTTKLKB1KLK1
SCHEMBL8548280 0.77 SLC6A12 (0.34) SLC6A12L3MBTL1ALDH1A1GABRPGABRD
SCHEMBL8547431 0.77 HSP90AB1 (0.43) SLC6A12L3MBTL1ALDH1A1GABRPGABRD
SCHEMBL9144675 0.75 SLC6A12 (0.37) SLC6A12ALDH1A1GABRPGABRDGABRA1
SCHEMBL5796439 0.75 KEAP1 (0.35) ALDH1A1HTTADORA1KDM4E
SCHEMBL3702546 0.74 SMN1; SMN2 (0.40) SLC6A12ALDH1A1GABRPGABRDGABRA1
SCHEMBL30436565 0.74 SMN1; SMN2 (0.40) SLC6A12ALDH1A1GABRPGABRDGABRA1
SCHEMBL29550931 0.72 TSHR (0.52) ALDH1A1KMT2ATSHRKDM4E

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-1675858-A2 5-ARYL-PYRAZOLO [4,3-D] PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2006-07-05 — — EP disclosed
US-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds NEUROGEN CORPORATION 2005-03-31 — — US disclosed
WO-2005028480-A2 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2005-03-31 — — WO disclosed
US-6844398-B2 Ethylenic copolymer, composition containing said copolymer, and ethylenic copolymer film IDEMITSU KOSAN CO., LTD. (JP) 2005-01-18 — — US disclosed
US-20020188087-A1 Ethylenic copolymer, composition containing said copolymer, and ethylenic copolymer film IDEMITSU KOSAN CO., LTD. (JP) 2002-12-12 — — 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-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds CRHR1, HTR5A, HTR1D SLC6A12 4205/4885L3MBTL1 4407/4885ALDH1A1 1664/4885

“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.