SCHEMBL12580747

SCHEMBL12580747

Cc1cc(C(F)(F)F)nc(N2CCC(N3CCCC3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HSD17B10 Q99714 8/20 0.45
▸ MAPK1 P28482 5/20 0.45
▸ KDM4E B2RXH2 7/20 0.43
▸ TP53 P04637 1/20 0.43
▸ USP2 O75604 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CCR4 P51679 2/20 0.41

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
SCHEMBL12552673 0.80 RBP4 (0.48) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL1420168 0.78 KHK (0.40) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL27830611 0.77 ADRB1 (0.59) ALDH1A1KMT2AKDM4EL3MBTL1L3MBTL3
SCHEMBL31165520 0.76 ADRB1 (0.57) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL12552670 0.75 RBP4 (0.55) HPGDALDH1A1MEN1KMT2AHSD17B10
SCHEMBL1420172 0.73 KDM4E (0.49) HPGDALDH1A1MEN1KMT2AHSD17B10
SCHEMBL12580779 0.72 SMN1; SMN2 (0.42) ALDH1A1KDM4ENPSR1L3MBTL1CYP2C9
SCHEMBL23593003 0.71 KHK (0.52) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL27810118 0.71 KDM4E (0.53) HPGDALDH1A1KMT2AHSD17B10MAPK1
SCHEMBL23764792 0.70 ALDH1A1 (0.43) HPGDALDH1A1MAPTMEN1KMT2A

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 1 patent. 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

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 HPGD 497/4885ALDH1A1 1547/4885MAPT 1077/4885

“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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