SCHEMBL5645168

SCHEMBL5645168

O=C(On1c(Cl)nc(Br)c1Cl)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
PHGDH O43175 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.37
RAB9A P51151 2/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5650366 0.85 TSHR (0.39) TSHRTP53POLBSMN1; SMN2KDM4E
SCHEMBL6673356 0.83 RXFP1 (0.36)
SCHEMBL5648233 0.73 TP53 (0.44) TSHRTP53POLBPHGDHSMN1; SMN2
SCHEMBL5649116 0.72 TSHR (0.46) TSHRTP53POLBPHGDHSMN1; SMN2
SCHEMBL5645737 0.69 TP53 (0.41) TSHRTP53POLBSMN1; SMN2KDM4E
SCHEMBL5650208 0.68 TSHR (0.44) TSHRTP53POLBPHGDHSMN1; SMN2
SCHEMBL16975386 0.67 RAB9A (0.43) TSHRTP53POLBPHGDHSMN1; SMN2
SCHEMBL5649124 0.66 TP53 (0.47) TSHRTP53PHGDHSMN1; SMN2KDM4E
SCHEMBL5645739 0.65 TP53 (0.43) TSHRTP53POLBSMN1; SMN2KDM4E
SCHEMBL27617692 0.64 TSHR (0.57) TSHRTP53POLBSMN1; SMN2KMT2A

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 TSHR 658/4885TP53 3399/4885POLB 3606/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL TSHR 363/4885TP53 3352/4885POLB 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.