SCHEMBL7554316

SCHEMBL7554316

O=C1NN=C/C1=C\Nc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ NPC1 O15118 4/20 0.41
▸ GAA P10253 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ METAP1 P53582 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CA2 P00918 2/20 0.34
▸ MITF O75030 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ AURKA O14965 1/20 0.33

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
SCHEMBL7554087 0.77 ALDH1A1 (0.47) RAB9AALDH1A1KDM4ENPC1GAA
SCHEMBL7552469 0.75 MAPT (0.40) RAB9AALDH1A1KDM4ENPC1TDP1
SCHEMBL14426635 0.69 ALDH1A1 (0.48) RAB9AALDH1A1KDM4ENPC1GAA
SCHEMBL19663955 0.67 RAB9A (0.50) RAB9AALDH1A1KDM4ENPC1GAA
SCHEMBL1086165 0.66 ALDH1A1 (0.56) RAB9AALDH1A1KDM4EKMT2ATP53
SCHEMBL12258536 0.65 KMT2A (0.54) RAB9AALDH1A1KDM4ENPC1GAA
SCHEMBL8728283 0.64 TSHR (0.52) RAB9AALDH1A1KDM4EKMT2ATP53
SCHEMBL1086084 0.64 ALDH1A1 (0.54) RAB9AALDH1A1KDM4EKMT2ATP53
Terephthalic Acid SCHEMBL5014892 0.62 TSHR (0.92) ALDH1A1TP53TSHRCA2SMN1; SMN2
SCHEMBL4428955 0.62 ALDH1A1 (0.50) RAB9AALDH1A1KDM4ENPC1GAA

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-20020058244-A1 Method for detecting uracil biosynthesis inhibitors and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2002-05-16 — — US claimed

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-20020058244-A1 Method for detecting uracil biosynthesis inhibitors and their use as herbicides UMPS, UGP2, UNG RAB9A 4202/4885ALDH1A1 484/4885KDM4E 1474/4885

“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.

Send feedback