SCHEMBL5043625

SCHEMBL5043625

O=C(NC1CCNCC1)c1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1)CC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.47
FLT3 P36888 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BAZ2B Q9UIF8 1/20 0.45
APAF1 O14727 1/20 0.44
HTR1F P30939 1/20 0.42
RB1 P06400 1/20 0.42
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CNR1 P21554 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL61259 0.89 POLB (0.58) POLBALDH1A1LMNAMAPTL3MBTL1
SCHEMBL62805 0.89 POLB (0.51) POLBALDH1A1LMNAMAPTL3MBTL1
SCHEMBL16927810 0.87 HDAC1 (0.57) POLBALDH1A1LMNAMAPTL3MBTL1
SCHEMBL70571 0.87 POLB (0.49) POLBALDH1A1LMNAMAPTL3MBTL1
SCHEMBL61384 0.86 POLB (0.53) POLBALDH1A1LMNAMAPTL3MBTL1
SCHEMBL69443 0.86 ALDH1A1 (0.49) POLBALDH1A1LMNAMAPTL3MBTL1
SCHEMBL60685 0.84 POLB (0.52) POLBALDH1A1LMNAMAPTL3MBTL1
SCHEMBL62007 0.84 BRD3 (0.46) POLBALDH1A1LMNAMAPTL3MBTL1
SCHEMBL61579 0.83 HDAC1 (0.51) HDAC1HDAC6
SCHEMBL62417 0.83 POLB (0.60) POLBALDH1A1LMNAMAPTL3MBTL1

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-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 POLB 2805/4885ALDH1A1 1444/4885LMNA 2768/4885

“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.