SCHEMBL25891802

SCHEMBL25891802

O=C(OCCC(O)CO)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
PRKCA P17252 1/20 0.49
MAPK1 P28482 2/20 0.49
HIF1A Q16665 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
F2 P00734 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL25893162 1.00 TDP1 (0.59) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL18288405 1.00 TDP1 (0.59) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL27719708 0.90 TDP1 (0.66) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL17470395 0.86 ALDH1A1 (0.66) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL5155769 0.85 TDP1 (0.68) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL1073073 0.85 LMNA (0.64) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL3162957 0.84 TDP1 (0.66) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL1866113 0.82 ALDH1A1 (0.70) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL1866116 0.82 ALDH1A1 (0.70) TDP1LMNAALDH1A1ADRB2ADRB1
SCHEMBL3391 0.82 ALDH1A1 (0.70) TDP1LMNAALDH1A1ADRB2ADRB1

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
EP-4003988-B1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS SERVIER LAB (FR) 2026-05-20 EP disclosed
CN-114450283-B 3, 6-Diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2024-05-07 CN disclosed
US-20230242480-A1 Alkyne Compound, Vitamin D Compound, Analytical Method, and Production Method JEOL LTD. (JP) 2023-08-03 US disclosed
US-20220289734-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2022-09-15 US disclosed
EP-4003988-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2022-06-01 EP disclosed
CN-114450283-A 3, 6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2022-05-06 CN disclosed
WO-2021018857-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2021-02-04 WO 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 (2 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-20220289734-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS CASP3, BAX, CASP2 TDP1 1707/4885LMNA 117/4885ALDH1A1 1619/4885
US-20230242480-A1 Alkyne Compound, Vitamin D Compound, Analytical Method, and Production Method VDR, CYP2R1, CYP24A1 TDP1 4878/4885LMNA 1250/4885ALDH1A1 452/4885

“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.