SCHEMBL3589251

SCHEMBL3589251

CCCCCOc1ncccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.47
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CASP3 P42574 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
ELANE P08246 2/20 0.41
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL20645596 0.98 HPGD (0.46) HPGDALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL3082319 0.95 ALDH1A1 (0.48) HPGDALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL564714 0.90 HPGD (0.43) HPGDALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL3803808 0.83 NPC1 (0.43) HPGDALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL249966 0.83 L3MBTL1 (0.49) HPGDALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL30464563 0.82 USP2 (0.43) HPGDALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL7430771 0.82 KDM4E (0.40) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13310628 0.81 SSTR4 (0.43) HPGDALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL3432978 0.80 NPC1 (0.43) HPGDALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL8776818 0.76 CYP11B1 (0.48) HPGDALDH1A1L3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 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-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 HPGD 2988/4885ALDH1A1 3045/4885L3MBTL1 3035/4885

“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.