SCHEMBL504890

SCHEMBL504890

Cc1oc(-c2ccc(Br)o2)nc1C(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
KDM4E B2RXH2 6/20 0.45
POLB P06746 4/20 0.45
PTK2B Q14289 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 9/20 0.43
NPC1 O15118 10/20 0.38
RAB9A P51151 10/20 0.38
MAPT P10636 6/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 3/20 0.37
TSHR P16473 3/20 0.37
PKM P14618 2/20 0.37
USP2 O75604 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1980752 0.77 TARBP2 (0.49) ALDH1A1KDM4EPOLBSMN1; SMN2NPC1
SCHEMBL10480750 0.72 KDM4E (0.48) ALDH1A1KDM4EPOLBSMN1; SMN2RAB9A
SCHEMBL504231 0.68 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBPTK2BMEN1
SCHEMBL13721722 0.65 TARBP2 (0.50) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL8990667 0.61 HPGD (0.44) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL10808422 0.60
SCHEMBL27680881 0.60 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL3886258 0.60 KDM4E (0.50) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL7737637 0.60 KDM4E (0.46) ALDH1A1KDM4EPOLBSMN1; SMN2NPC1
SCHEMBL11618116 0.59 PTGS2 (0.49) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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
EP-2420501-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME Kowa Company, Ltd. (JP) 2012-02-22 EP disclosed
US-20120028983-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-02-02 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-20120028983-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME AGTR2, AGTR1, GPR119 ALDH1A1 2511/4885KDM4E 4804/4885POLB 2331/4885

“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.