SCHEMBL3589617

SCHEMBL3589617

COc1cc(OC)nc(-n2c(=S)[nH]c3cc(C(=O)NCC4CCNCC4)ccc3c2=O)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ TSHR P16473 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ USP2 O75604 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL3591736 0.95 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRRXFP1KMT2A
SCHEMBL2910968 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2RXFP1KMT2AMEN1
SCHEMBL3583785 0.80 USP2 (0.58) ALDH1A1SMN1; SMN2RXFP1KMT2AMEN1
SCHEMBL2900359 0.80 KMT2A (0.60) ALDH1A1SMN1; SMN2TSHRRXFP1KMT2A
SCHEMBL3591739 0.80 ACSS2 (0.40) ALDH1A1TSHR
SCHEMBL2900605 0.80 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL2895423 0.80 USP2 (0.57) ALDH1A1SMN1; SMN2RXFP1KMT2AMEN1
SCHEMBL2897918 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TSHRRXFP1KMT2A
SCHEMBL2902769 0.79 KDM4E (0.66) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2902339 0.78 USP2 (0.56) ALDH1A1SMN1; SMN2RXFP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 — — US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 — — US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 — — US disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 — — WO 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-20100298324-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 ALDH1A1 204/4885SMN1; SMN2 4048/4885TSHR 1645/4885

“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.

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