SCHEMBL6479523

SCHEMBL6479523

O=C(NCc1ccccc1)c1c[nH]c2ccsc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
ADORA2A P29274 7/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ADORA1 P30542 2/20 0.52
CYP3A4 P08684 1/20 0.51
HTR3A P46098 1/20 0.51
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48

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
SCHEMBL13229587 0.81 CFTR (0.63) NPC1RAB9ACYP3A4HTR3AGABRA1
SCHEMBL6205660 0.80 ADORA2A (0.68) POLBADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL7479578 0.80 ADORA2A (0.61) POLBADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL13229581 0.80 CYP3A4 (0.55) POLBRAB9ACYP3A4HTR3AKDM4E
SCHEMBL2793777 0.76 CYP3A4 (0.50) SMN1; SMN2CYP3A4HTR3AKDM4EKMT2A
SCHEMBL8251765 0.76 GABRP (0.74) POLBADORA2ANPC1RAB9AGABRP
SCHEMBL13229634 0.75 CYP3A4 (0.48) POLBCYP3A4HTR3AKDM4E
SCHEMBL13229624 0.74 CFTR (0.48) POLBNPC1SMN1; SMN2CYP3A4HTR3A
SCHEMBL14944426 0.73 ADORA2A (0.60) ADORA2ANPC1RAB9ASMN1; SMN2ADORA1
SCHEMBL13229697 0.72 CYP3A4 (0.49) NPC1RAB9ASMN1; SMN2CYP3A4HTR3A

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-6861438-B2 Antiviral agents PFIZER (US) 2005-03-01 US disclosed
US-20040138449-A1 Antiviral agents PHARMACIA & UPJOHN COMPANY 2004-07-15 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-20040138449-A1 Antiviral agents IRF3, IFNAR1, EIF2AK2 POLB 254/4885ADORA2A 2551/4885NPC1 639/4885

“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.