SCHEMBL1541679

SCHEMBL1541679

O=[N+]([O-])c1cccc(C#Cc2cccnc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.45
HTT P42858 3/20 0.45
MAPT P10636 3/20 0.45
HSP90AA1 P07900 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
S1PR2 O95136 1/20 0.45
OPRK1 P41145 1/20 0.45
FFAR1 O14842 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 1/20 0.42
PDE4D Q08499 1/20 0.40
MEN1 O00255 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 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
SCHEMBL10041247 0.83 FFAR1 (0.47) KMT2AALDH1A1HTTMAPTHSP90AA1
SCHEMBL28728423 0.79 TSHR (0.67) KMT2AALDH1A1HTTMAPTHSP90AA1
SCHEMBL4568619 0.74 KMT2A (0.37) KMT2AALDH1A1HTTMAPTHSP90AA1
SCHEMBL14975683 0.74 FFAR1 (0.60) KMT2AALDH1A1MAPTFFAR1LMNA
SCHEMBL9124019 0.74 ALDH1A1 (0.67) KMT2AALDH1A1HTTMAPTHSP90AA1
SCHEMBL1541524 0.74 ALDH1A1 (0.52) KMT2AALDH1A1HTTMAPTHSP90AA1
SCHEMBL27652747 0.71 PDE4D (0.53) KMT2AALDH1A1MAPTTDP1LMNA
SCHEMBL9092851 0.71 GRM5 (0.56) KMT2AALDH1A1HTTMAPTHSP90AA1
SCHEMBL24679180 0.71 AXL (0.39) KMT2AALDH1A1HTTMAPTHSP90AA1
SCHEMBL30084254 0.71 AXL (0.39) KMT2AALDH1A1HTTMAPTHSP90AA1

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-20110112299-A1 TETRACYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-12 US disclosed
EP-2308880-A1 TETRACYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-04-13 EP 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-20110112299-A1 TETRACYCLIC COMPOUND REN, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, LPXN KMT2A 1484/4885ALDH1A1 3255/4885HTT 631/4885

“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.