SCHEMBL21654553

SCHEMBL21654553

CCNC(=S)NNC(=O)Cn1nc(C)c(Br)c1C

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.61
NPSR1 Q6W5P4 2/20 0.61
LMNA P02545 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 4/20 0.59
AGTR1 P30556 1/20 0.59
ALDH1A1 P00352 2/20 0.51
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
APAF1 O14727 1/20 0.42

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
SCHEMBL15229912 0.75 APAF1 (0.55) GAANPSR1LMNACYP1A2CYP3A4
SCHEMBL21628148 0.74 KDM4E (0.51) GAANPSR1LMNACYP1A2CYP3A4
SCHEMBL15229985 0.73 APAF1 (0.47) GAANPSR1LMNACYP1A2CYP3A4
SCHEMBL15229836 0.72 HTT (0.62) NPSR1LMNAHTTAGTR1ALDH1A1
SCHEMBL3585241 0.70 ALDH1A1 (0.67) GAALMNACYP2C19HTTALDH1A1
SCHEMBL15231004 0.70 APAF1 (0.56) GAANPSR1LMNACYP2C19HTT
SCHEMBL26944228 0.69 ALDH1A1 (0.61) GAALMNACYP1A2CYP3A4CYP2C19
Ethane SCHEMBL11828584 0.69 ALDH1A1 (0.65) GAALMNACYP2C19HTTALDH1A1
SCHEMBL15230436 0.68 APAF1 (0.50) LMNACYP2C19HTTALDH1A1SMN1; SMN2
SCHEMBL15332321 0.68 GAA (0.41) GAALMNACYP1A2CYP3A4CYP2C19

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-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient INSTITUT PASTEUR KOREA (KR) 2021-10-19 US disclosed
US-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ST PHARM CO., LTD. (KR) 2020-01-30 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-20200031816-A1 NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ZC3HAV1, ZC3HAV1L, HAVCR2 GAA 186/4885NPSR1 2215/4885LMNA 3673/4885
US-11149033-B2 Heteroaryl compound, enantiomer, diastereomer or pharmaceutically acceptable salt thereof, and antiviral composition containing same as active ingredient ZC3HAV1, ZC3HAV1L, HAVCR2 GAA 284/4885NPSR1 2004/4885LMNA 3338/4885

“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.