SCHEMBL21311145

SCHEMBL21311145

COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)NCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ KMT2A Q03164 3/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.55
▸ TSHR P16473 2/20 0.54
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ GAA P10253 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ KCNA3 P22001 1/20 0.51
▸ PKM P14618 1/20 0.49

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
SCHEMBL21311170 0.92 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ARXFP1TSHRKDM4E
SCHEMBL21311447 0.90 TSHR (0.64) SMN1; SMN2KMT2ARXFP1TSHRKDM4E
SCHEMBL24801414 0.84 TAAR1 (0.57) SMN1; SMN2KMT2ATSHRALDH1A1HPGD
SCHEMBL10330502 0.82 KCNA3 (0.70) ALDH1A1HPGDMAPK1POLBTP53
SCHEMBL8671118 0.80 KMT2A (0.68) KMT2ARXFP1TSHRALDH1A1MAPT
SCHEMBL1918788 0.78 KDM4E (0.64) SMN1; SMN2KMT2ATSHRKDM4EALDH1A1
SCHEMBL20096609 0.76 LPAR1 (0.60) SMN1; SMN2KMT2ATSHRALDH1A1MAPT
SCHEMBL14947473 0.75 ADRA1D (0.59) SMN1; SMN2KMT2ATSHRKDM4EALDH1A1
SCHEMBL20097116 0.75 TSHR (0.69) SMN1; SMN2KMT2ARXFP1TSHRMAPT
SCHEMBL21311190 0.74 KMT2A (0.60) KMT2ATSHRKDM4EALDH1A1MAPT

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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 — — 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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 SMN1; SMN2 959/4885KMT2A 2961/4885RXFP1 4748/4885

“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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