SCHEMBL5652348

SCHEMBL5652348

O=C(On1ccnc1I)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
TSHR P16473 4/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
AKR1C3 P42330 1/20 0.37
LIPA P38571 1/20 0.37
HTT P42858 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
SCHEMBL5650555 0.84 ALDH1A1 (0.42) TSHRPOLBHSD17B10KDM4EHPGD
SCHEMBL5650208 0.82 TSHR (0.44) TP53TSHRPOLBCYP1A2CYP2C9
SCHEMBL5650037 0.82 CYP1A2 (0.47) TP53TSHRPOLBCYP1A2CYP2C9
SCHEMBL5645739 0.82 TP53 (0.43) TP53TSHRPOLBCYP1A2CYP2C9
SCHEMBL5652526 0.75 TP53 (0.47) TP53TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL5645420 0.74 FKBP1A (0.46) TP53TSHRHSD17B10KDM4EALDH1A1
SCHEMBL5646943 0.73 HPGD (0.45) TP53TSHRHSD17B10KDM4EHPGD
SCHEMBL5650949 0.72 FKBP1A (0.50) TP53TSHRPOLBCYP1A2CYP2C9
SCHEMBL5650464 0.72 SMN1; SMN2 (0.48) TP53TSHRPOLBCYP1A2CYP2C9
SCHEMBL5650918 0.70 TP53 (0.46) TP53TSHRCYP1A2CYP2C9CYP2C19

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
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US claimed
US-7279470-B2 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2007-10-09 US disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 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 (2 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-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL TP53 3399/4885TSHR 658/4885POLB 3606/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL TP53 3352/4885TSHR 363/4885POLB 2734/4885

“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.