SCHEMBL6285883

SCHEMBL6285883

O=C(NCc1ccc(Cl)cc1)c1cnc2ccc(CN3CCOCC3)nn2c1=O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.62
POLB P06746 1/20 0.51
THRB P10828 1/20 0.49
POLA1 P09884 2/20 0.48
KCNH2 Q12809 5/20 0.48
MLLT1 Q03111 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SLC2A1 P11166 1/20 0.43

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
SCHEMBL6284361 0.85 RXFP1 (0.57) RXFP1POLBTHRBPOLA1KCNH2
SCHEMBL6286625 0.85 RXFP1 (0.56) RXFP1POLBTHRB
SCHEMBL6279723 0.83 RXFP1 (0.57) RXFP1POLA1KCNH2MLLT1ALDH1A1
SCHEMBL6283710 0.80 RXFP1 (0.50) RXFP1
SCHEMBL6286356 0.80 RXFP1 (0.59) RXFP1POLBPOLA1KCNH2MLLT1
SCHEMBL6283845 0.79 KCNH2 (0.53) RXFP1POLA1KCNH2MLLT1ALDH1A1
SCHEMBL6716949 0.78 RXFP1 (0.49) RXFP1POLA1KCNH2MLLT1ALDH1A1
SCHEMBL6280370 0.77 RXFP1 (0.63) RXFP1POLBTHRBPOLA1KCNH2
SCHEMBL6669690 0.76 KCNH2 (0.50) RXFP1POLA1KCNH2MLLT1ALDH1A1
SCHEMBL6667005 0.75 KCNH2 (0.51) RXFP1POLA1KCNH2MLLT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US claimed
US-20040142928-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2004-07-22 US claimed
US-20030207880-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2003-11-06 US claimed
EP-1301493-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-16 EP claimed
US-20020025960-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US claimed
WO-2002004444-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO claimed
US-6903097-B2 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY (US) 2005-06-07 US disclosed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US disclosed
US-20040142928-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2004-07-22 US disclosed
US-20030207880-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2003-11-06 US disclosed
US-6559145-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-05-06 US disclosed
US-20020025960-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 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 (4 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-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, NR1H3, NR1H2 RXFP1 47/4885POLB 1634/4885THRB 1490/4885
US-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885POLB 1649/4885THRB 4747/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885POLB 1649/4885THRB 4747/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885POLB 1649/4885THRB 4747/4885

“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.