SCHEMBL19004094

SCHEMBL19004094

CCOC(C)(C)c1ccc(OC)nn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
NNMT P40261 1/20 0.34
LMNA P02545 2/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TXNRD1 Q16881 1/20 0.30
HTT P42858 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30

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
SCHEMBL13094485 0.76 NNMT (0.41) MAPTNNMTLMNACYP2C19SMN1; SMN2
SCHEMBL15633785 0.72 NNMT (0.38) MAPTNNMTLMNACYP2C19SMN1; SMN2
SCHEMBL25226069 0.70 NNMT (0.39) MAPTNNMTLMNACYP2C19SMN1; SMN2
SCHEMBL353814 0.69 NNMT (0.54) MAPTNNMTLMNACYP2C19SMN1; SMN2
SCHEMBL29795195 0.69 NNMT (0.54) MAPTNNMTLMNACYP2C19SMN1; SMN2
SCHEMBL14174627 0.69 MAPT (0.43) MAPTLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL21719316 0.67 TXNRD1 (0.36) MAPTLMNAKDM4ETXNRD1HTT
SCHEMBL6920776 0.67 KDM4E (0.39) MAPTALDH1A1KDM4E
SCHEMBL31292375 0.67 NNMT (0.46) MAPTNNMTLMNACYP2C19SMN1; SMN2
SCHEMBL19313399 0.66 APP (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004740-B2 Prodrugs of HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-26 US disclosed
US-9718819-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20170173015-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 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 (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-20170173015-A1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS TYMP, RNGTT, REV1 MAPT 1582/4885NNMT 322/4885LMNA 2974/4885
US-10004740-B2 Prodrugs of HIV reverse transcriptase inhibitors TYMP, RNGTT, REV1 MAPT 1582/4885NNMT 322/4885LMNA 2974/4885

“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.