SCHEMBL12883063

SCHEMBL12883063

O=C(NO)c1cc2c(s1)CC1CCCC2N1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ RECQL P46063 1/20 0.54
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KDR P35968 2/20 0.43
▸ CCR2 P41597 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GRIN2B Q13224 3/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ PDK1 Q15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL30391423 0.76 TSHR (0.52) TSHRRECQLMAPTSMN1; SMN2KMT2A
SCHEMBL30391416 0.76 TSHR (0.52) TSHRRECQLMAPTSMN1; SMN2KMT2A
SCHEMBL26879847 0.76 TSHR (0.52) TSHRRECQLMAPTSMN1; SMN2KMT2A
SCHEMBL30391270 0.76 TSHR (0.52) TSHRRECQLMAPTSMN1; SMN2KMT2A
SCHEMBL7789368 0.76 MAPT (0.47) TSHRRECQLMAPTSMN1; SMN2KMT2A
SCHEMBL15402103 0.73 TSHR (0.36) TSHRRECQLMAPTSMN1; SMN2KMT2A
SCHEMBL30390707 0.73 GPR65 (0.73) TSHRRECQLMAPTKMT2AKDR
SCHEMBL30390635 0.73 GPR65 (0.73) TSHRRECQLMAPTKMT2AKDR
SCHEMBL30391361 0.73 GPR65 (0.73) TSHRRECQLMAPTKMT2AKDR
SCHEMBL30390268 0.73 GPR65 (0.73) TSHRRECQLMAPTKMT2AKDR

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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 TSHR 3495/4885RECQL 944/4885MAPT 2380/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 TSHR 3495/4885RECQL 944/4885MAPT 2380/4885

“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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