SCHEMBL259474

SCHEMBL259474

Cc1cccc(NC(=O)c2ccc(NCc3ccccc3)nc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CXCR1 P25024 2/20 0.55
CXCR2 P25025 2/20 0.55
MAPT P10636 2/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
RECQL P46063 1/20 0.55
VNN1 O95497 1/20 0.55
KDM4E B2RXH2 1/20 0.55
NAMPT P43490 1/20 0.54
RXFP1 Q9HBX9 1/20 0.51
KCNK3 O14649 1/20 0.51
POLB P06746 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
GAA P10253 1/20 0.51
HDAC1 Q13547 1/20 0.51

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
SCHEMBL3646298 0.86 P4HTM (0.62) ALDH1A1MEN1KMT2ALMNACXCR1
SCHEMBL259470 0.83 MEN1 (0.64) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL259362 0.82 MEN1 (0.73) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL18511969 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CXCR1CXCR2VNN1
SCHEMBL11562583 0.81 HCAR3 (0.57) ALDH1A1SMN1; SMN2VNN1KDM4E
SCHEMBL3500292 0.80 KMT2A (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2CXCR1
SCHEMBL12398730 0.80 MEN1 (0.62) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL26033201 0.79 ALDH1A1 (0.53) ALDH1A1KMT2ACXCR1CXCR2RAB9A
SCHEMBL18511954 0.78 HDAC1 (0.55) ALDH1A1SMN1; SMN2CXCR1CXCR2VNN1
SCHEMBL16495590 0.77 MEN1 (0.70) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A ALDH1A1 4428/4885MEN1 3330/4885KMT2A 1722/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A ALDH1A1 4428/4885MEN1 3330/4885KMT2A 1722/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A ALDH1A1 4428/4885MEN1 3330/4885KMT2A 1722/4885

“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.