SCHEMBL18758199

SCHEMBL18758199

CC1(C)CC(NC(=S)Nc2cccnc2)CC(C)(C)N1O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.62
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HPGD P15428 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 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
SCHEMBL9902357 0.79 P2RX7 (0.44) ALDH1A1KDM4EGAAHTT
SCHEMBL9902361 0.79 P2RX7 (0.44) ALDH1A1KDM4EGAAHTT
SCHEMBL16994510 0.79 P2RX7 (0.44) ALDH1A1KDM4EGAAHTT
SCHEMBL9901676 0.73 TSHR (0.40) ALDH1A1KDM4EHPGDHTT
SCHEMBL16994511 0.73 P2RX7 (0.41) ALDH1A1KDM4EGAAHTT
SCHEMBL15510403 0.72 MAPT (0.74) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL14031230 0.70 MAPT (0.61) ALDH1A1KDM4EHPGDMAPT
SCHEMBL9901681 0.70 KMT2A (0.39) ALDH1A1KDM4ENPSR1HPGDMITF
SCHEMBL23666092 0.69 ALDH1A1 (0.64) ALDH1A1CA1CA2CA9
SCHEMBL9903243 0.69 KDM4E (0.58) ALDH1A1CA1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF TISBURY PHARMACEUTICALS, INC 2017-04-20 — — 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-20170107198-A1 MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF NOX4, NOX1, NOS1 ALDH1A1 1794/4885CA1 4186/4885CA2 844/4885

“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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