SCHEMBL6490182

SCHEMBL6490182

CC(C)(C)c1ccc(CNc2ccc3[nH]c4ccccc4c3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.64
GABRA1 P14867 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50
BRD4 O60885 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MTNR1A P48039 1/20 0.47

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
SCHEMBL10090582 0.80 KIF11 (1.00) KIF11GABRA1GABRG2GABRB3GABRA5
Carbazole SCHEMBL28794196 0.80 KIF11 (1.00) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL29363588 0.80 KIF11 (1.00) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL29588087 0.80 KIF11 (1.00) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL6770347 0.79 TRPV1 (0.54) KMT2ACA1CA2HDAC1TRPV1
SCHEMBL6484782 0.78 GABRA1 (0.61) KIF11GABRA1GABRG2GABRB3GABRA5
Ammonia Solution, Strong SCHEMBL28293743 0.78 KIF11 (0.96) KIF11GABRA1GABRG2GABRB3GABRA5
SCHEMBL6482348 0.76 KMT2A (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6484020 0.76 CA1 (0.45) KDM4EKMT2ACA1CA2TRPV1
SCHEMBL9231467 0.75 KDM4E (0.58) KIF11GABRA1GABRG2GABRB3GABRA5

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 KIF11 1727/4885GABRA1 3798/4885GABRG2 3288/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 KIF11 2323/4885GABRA1 4239/4885GABRG2 4242/4885

“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.