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SCHEMBL2205871

SCHEMBL2205871

CC(=O)N(Cc1ccccc1)C1CN(C)CCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CALCA P06881 2/20 0.39
▸ KCNE1 P15382 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ERCC1 P07992 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ ERCC4 Q92889 1/20 0.38
▸ SCD O00767 1/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL2205093 0.92 CYP2C9 (0.64) KCNH2CYP2C9SMN1; SMN2MEN1KMT2A
SCHEMBL2207919 0.91 KCNH2 (0.59) KCNH2CYP2C9SMN1; SMN2MEN1KMT2A
SCHEMBL2206881 0.88 CYP2C9 (0.56) KCNH2CYP2C9SMN1; SMN2MEN1KMT2A
SCHEMBL4505298 0.87 CYP2C9 (0.65) KCNH2CYP2C9SMN1; SMN2MEN1KMT2A
SCHEMBL2207621 0.87 CYP2C9 (0.65) KCNH2CYP2C9SMN1; SMN2MEN1KMT2A
SCHEMBL2206700 0.87 CYP2C9 (0.61) KCNH2CYP2C9SMN1; SMN2MEN1KMT2A
SCHEMBL2208851 0.84 KCNH2 (0.54) KCNH2CYP2C9SMN1; SMN2MEN1KMT2A
SCHEMBL2208609 0.83 CYP2C9 (0.67) KCNH2CYP2C9SMN1; SMN2MEN1KMT2A
SCHEMBL2209617 0.83 KCNH2 (0.58) KCNH2CYP2C9SMN1; SMN2MEN1KMT2A
SCHEMBL12245782 0.82 CYP2C9 (0.63) KCNH2CYP2C9SMN1; SMN2MEN1KMT2A

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-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 — — US claimed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 — — US claimed
US-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 — — US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 — — US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 — — US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 — — US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 — — US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 — — US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 — — 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-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 KCNH2 2918/4885CYP2C9 672/4885SMN1; SMN2 2699/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 KCNH2 3625/4885CYP2C9 449/4885SMN1; SMN2 3728/4885

“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.