SCHEMBL5521771

SCHEMBL5521771

O=C(NC[C@H]1CC[C@@H](CCOc2ccc(F)cc2)CO1)c1cn[nH]c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
HPGD P15428 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.38
ACACB O00763 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GABRA5 P31644 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
SCHEMBL5524707 1.00 HSD17B10 (0.43) HSD17B10HPGDSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL14451329 1.00 HSD17B10 (0.43) HSD17B10HPGDSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL14451330 1.00 HSD17B10 (0.43) HSD17B10HPGDSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5520765 0.90 HSD17B10 (0.44) HSD17B10HPGDSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5516274 0.81 SMN1; SMN2 (0.49) HPGDSMN1; SMN2ALDH1A1L3MBTL1ACACB
SCHEMBL5519303 0.81 SMN1; SMN2 (0.49) HPGDSMN1; SMN2ALDH1A1L3MBTL1ACACB
SCHEMBL5519107 0.81 ACACB (0.46) HPGDSMN1; SMN2L3MBTL1ACACBLMNA
SCHEMBL5532649 0.81 ACACB (0.41) HPGDSMN1; SMN2ALDH1A1L3MBTL1ACACB
SCHEMBL5521109 0.80 ACACB (0.41) HPGDSMN1; SMN2ALDH1A1L3MBTL1ACACB
SCHEMBL5525322 0.80 ACACB (0.51) HPGDSMN1; SMN2ALDH1A1L3MBTL1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A HSD17B10 1891/4885HPGD 604/4885SMN1; SMN2 897/4885

“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.