SCHEMBL19986248

SCHEMBL19986248

O=C1[C@@H]2[C@@H](CO)[C@@H]2C(=O)N1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 9/20 0.58
TSHR P16473 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 3/20 0.55
HPGD P15428 2/20 0.55
F2 P00734 1/20 0.52
PLG P00747 1/20 0.52
ELANE P08246 1/20 0.52
CTSG P08311 1/20 0.52
CMA1 P23946 1/20 0.52
CTRC Q99895 1/20 0.52
MAPK1 P28482 3/20 0.50
USP2 O75604 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
EP300 Q09472 2/20 0.49
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
MGLL Q99685 1/20 0.48

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
SCHEMBL16759895 0.85 KMT2A (0.70) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL16775234 0.85 KMT2A (0.70) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL796602 0.79 KMT2A (0.62) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL12761228 0.79 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL8919811 0.79 KMT2A (0.62) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL13061191 0.79 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL8362397 0.79 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL796603 0.79 KMT2A (0.62) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL796601 0.79 KMT2A (0.62) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL2435977 0.77 MEN1 (1.00) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079737-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2018-03-22 US disclosed
US-20180079737-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2018-03-22 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-20180079737-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP KMT2A 1929/4885MEN1 338/4885ALDH1A1 402/4885

“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.