SCHEMBL12553073

SCHEMBL12553073

O=C(O)c1cnc(N2CCC(N3CCCC3)CC2)nc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATF1 P18846 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ PTPN11 Q06124 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ SMO Q99835 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CASP1 P29466 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MCHR1 Q99705 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL12580779 0.80 SMN1; SMN2 (0.42) ATF1NFKB1ALDH1A1KDM4ELMNA
SCHEMBL1420170 0.79 ATF1 (0.58) ATF1NFKB1PTPN11ALDH1A1KDM4E
SCHEMBL3835074 0.79 ATF1 (0.48) ATF1NFKB1ALDH1A1KDM4ENR1H2
SCHEMBL1420131 0.78 ATF1 (0.67) ATF1NFKB1PTPN11LMNACNR2
SCHEMBL12552982 0.78 ATF1 (0.57) ATF1NFKB1PTPN11ALDH1A1KDM4E
SCHEMBL6867706 0.74 OXTR (0.49) —
SCHEMBL28758752 0.72 HRH3 (0.48) ALDH1A1HRH3
SCHEMBL12552673 0.72 RBP4 (0.48) ALDH1A1KDM4EMAPTMCHR1
SCHEMBL12796048 0.71 PTPN11 (0.57) ATF1NFKB1PTPN11ALDH1A1KDM4E
SCHEMBL1822247 0.70 SCD (0.61) ALDH1A1KDM4EHCRTR1HCRTR2CYP2C9

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-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 — — US disclosed
WO-2009152356-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2009-12-17 — — 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 (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-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA G6PD, DHFR, SGMS1 ATF1 3628/4885NFKB1 2024/4885PTPN11 4458/4885

“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.

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