SCHEMBL6490795

SCHEMBL6490795

c1ccc2c(c1)Cc1cc(NCc3nccs3)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.49
DHFR P00374 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRA2A P08913 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 3/20 0.40

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
SCHEMBL6484197 0.77 PTPN11 (0.56) DHFRCYP1A2CYP3A4KDM4ELMNA
SCHEMBL6481656 0.77 KDM4E (0.56) DHFRCYP1A2CYP3A4KDM4ELMNA
SCHEMBL6491260 0.75 MAOA (0.55) DHFRCYP1A2CYP3A4KDM4ELMNA
SCHEMBL2718512 0.74 MAOB (0.55) TRPM5CYP1A2CYP3A4LMNATDP1
SCHEMBL6482261 0.74 NPC1 (0.48) DHFRCYP1A2CYP3A4KDM4ELMNA
SCHEMBL6484751 0.73 DHFR (0.49) DHFRCYP1A2CYP3A4KDM4ELMNA
SCHEMBL6496681 0.73 LTA4H (0.56) DHFRCYP1A2CYP3A4KDM4ELMNA
SCHEMBL27585673 0.71 RAB9A (0.60) DHFRCYP1A2CYP3A4KDM4ELMNA
SCHEMBL6490390 0.70 CYP1A2 (0.49) DHFRCYP1A2CYP3A4KDM4ELMNA
SCHEMBL6482117 0.70 DHFR (0.54) DHFRCYP1A2CYP3A4KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US claimed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP claimed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO claimed
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US disclosed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US disclosed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US disclosed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP disclosed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 TRPM5 1228/4885DHFR 666/4885CYP1A2 649/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 TRPM5 468/4885DHFR 431/4885CYP1A2 2938/4885

“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.