SCHEMBL4801886

SCHEMBL4801886

NC(=O)C(O)(c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KCNN4 O15554 7/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ HTT P42858 2/20 0.41
▸ CYP2D6 P10635 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ KCNE1 P15382 1/20 0.40
▸ KCNQ1 P51787 1/20 0.40
▸ KIF11 P52732 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CHRM2 P08172 2/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL366365 0.89 MAPT (0.58) KMT2AMAPTKCNN4CYP2C9HTT
Hydrochloric Acid SCHEMBL23198120 0.87 MAPT (0.56) KMT2AMAPTKCNN4CYP2C9HTT
SCHEMBL9142680 0.86 CYP2C9 (0.64) KMT2AMAPTKCNN4CYP2C9HTT
SCHEMBL9142699 0.86 CYP2C9 (0.64) KMT2AMAPTKCNN4CYP2C9HTT
Ethane SCHEMBL3002447 0.85 MAPT (0.59) KMT2AMAPTKCNN4CYP2C9HTT
SCHEMBL4800452 0.78 MAPT (0.57) KMT2AMAPTKCNN4HTTCYP2D6
SCHEMBL2319756 0.78 KMT2A (0.54) KMT2AMAPTKIF11MEN1KCNH2
SCHEMBL8506184 0.77 KCNN4 (0.46) KMT2AMAPTKCNN4CYP2C9HTT
SCHEMBL6871299 0.77 CYP19A1 (0.54) KMT2AHTTLMNAMEN1TSHR
SCHEMBL8218323 0.76 TSHR (0.48) KMT2AMAPTKCNN4CYP2C9HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103184054-B Crystal aligning agent, liquid crystal orienting film, liquid crystal display cells, polymkeric substance and compound JSR CO., LTD. (JP) 2015-09-30 — — CN disclosed
CN-103184054-A Liquid crystal alignment agent, liquid crystal alignment film, liquid crystal display element, polymer and compound JSR K K 2013-07-03 — — CN disclosed
US-7414048-B2 4,5-dihydro-isoxazole derivatives and their pharmaceutical use JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 — — US disclosed
EP-1119568-B1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA NV (BE) 2004-02-18 — — EP disclosed
US-20040019059-A1 4,5-Dihydro-isoxazole derivatives and their pharmaceutical use FREYNE EDDY JEAN EDGARD (BE) 2004-01-29 — — US disclosed
US-6583141-B1 T cell mediated rheumatic diseases JANSSEN PHARMACEUTICA, N.V. (BE) 2003-06-24 — — 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 (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-20040019059-A1 4,5-Dihydro-isoxazole derivatives and their pharmaceutical use CBR1, CYP2D6, HSD3B1 KMT2A 3726/4885MAPT 4752/4885KCNN4 448/4885

“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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