SCHEMBL6071045

SCHEMBL6071045

CCn1nnnc1-c1cc[c]cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
POLB P06746 3/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX7 Q99572 2/20 0.41
HPGD P15428 2/20 0.40
HSD11B1 P28845 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL1154434 0.81 ALDH1A1 (0.62) ALDH1A1POLBHTTCYP1A2MEN1
SCHEMBL8321029 0.80 CYP1A2 (0.43) ALDH1A1POLBHTTCYP1A2MEN1
SCHEMBL4513695 0.79 ALDH1A1 (0.53) ALDH1A1POLBHTTCYP1A2MEN1
SCHEMBL9603257 0.79 ALDH1A1 (0.58) ALDH1A1POLBHTTCYP1A2MEN1
SCHEMBL1031415 0.76 SMN1; SMN2 (0.52) ALDH1A1POLBHTTCYP2C9CYP2C19
SCHEMBL27645660 0.72 ALDH1A1 (0.33) ALDH1A1POLBHTTP2RX7HPGD
SCHEMBL3939272 0.71 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL8324448 0.71 P2RX7 (0.38) ALDH1A1POLBHTTCYP1A2MEN1
SCHEMBL9113959 0.70 ALDH1A1 (0.44) ALDH1A1POLBHTTCYP1A2MEN1
SCHEMBL9113954 0.70 ALDH1A1 (0.44) ALDH1A1POLBHTTCYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122565-B2 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT LLC (US) 2006-10-17 US disclosed
EP-1326853-B1 THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER LAMBERT CO (US) 2005-09-07 EP disclosed
EP-1326853-A1 NEW THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS Warner-Lambert Company LLC (US) 2003-07-16 EP disclosed
US-20030045557-A1 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT COMPANY 2003-03-06 US disclosed
WO-2002028847-A1 NEW THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-04-11 WO disclosed
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP 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-20030045557-A1 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors PDE3A, PDE3B, PDE7A ALDH1A1 471/4885POLB 1113/4885HTT 4631/4885

“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.