SCHEMBL895966

SCHEMBL895966

CCC(C(=O)O)c1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
THRB P10828 1/20 0.39
PTPRA P18433 1/20 0.38
CYP1A2 P05177 1/20 0.38
AKR1C3 P42330 4/20 0.37
AKR1C2 P52895 4/20 0.37
AKR1C1 Q04828 1/20 0.37
PTGS1 P23219 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL2431567 0.82 P2RX7 (0.36) LMNAALDH1A1SMN1; SMN2HTTGAA
SCHEMBL22610222 0.81 MAPK1 (0.41) ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL895915 0.78 SMN1; SMN2 (0.41) LMNAALDH1A1SMN1; SMN2HTTGAA
SCHEMBL2680153 0.77 ALDH1A1 (0.55) LMNAALDH1A1SMN1; SMN2HTTGAA
SCHEMBL17825462 0.75 P4HTM (0.54) SMN1; SMN2PTPRACYP1A2PTGS1HSD17B10
SCHEMBL6178335 0.74 P2RX7 (0.42) LMNAALDH1A1SMN1; SMN2
SCHEMBL895866 0.73 KCNQ2 (0.42) LMNAALDH1A1SMN1; SMN2HTTAKR1C3
SCHEMBL895816 0.73 AKR1C3 (0.41) LMNAALDH1A1SMN1; SMN2HTTGAA
SCHEMBL4061265 0.72 ALDH1A1 (0.43) LMNAALDH1A1SMN1; SMN2HTTGAA
SCHEMBL8831554 0.71 PTGS2 (0.42) LMNAALDH1A1SMN1; SMN2PTPRACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0654035-B1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES UPJOHN CO (US) 1997-08-20 EP claimed
US-5565441-A AN N-HETEROCYCLE DERIVATIVE; ANTIARTHRITIC AGENTS; DISEASES CHARACTERIZED BY ABNORMAL PHOSPHATE AND CALCIUM METABOLISM; CHRONIC DISEASES THE UPJOHN COMPANY (US) 1996-10-15 US claimed
EP-0654035-A1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES. UPJOHN CO (US) 1995-05-24 EP claimed
WO-1994003463-A1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES THE UPJOHN COMPANY (US) 1994-02-17 WO claimed
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 US disclosed
EP-0654035-B1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES UPJOHN CO (US) 1997-08-20 EP disclosed
US-5643895-A Phosphonoacetic esters and acids as anti-inflammatories THE UPJOHN COMPANY (US) 1997-07-01 US disclosed
US-5565441-A AN N-HETEROCYCLE DERIVATIVE; ANTIARTHRITIC AGENTS; DISEASES CHARACTERIZED BY ABNORMAL PHOSPHATE AND CALCIUM METABOLISM; CHRONIC DISEASES THE UPJOHN COMPANY (US) 1996-10-15 US disclosed
EP-0654035-A1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES. UPJOHN CO (US) 1995-05-24 EP disclosed
WO-1994003463-A1 PHOSPHONOACETIC ESTERS AND ACIDS AS ANTI-INFLAMMATORIES THE UPJOHN COMPANY (US) 1994-02-17 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 (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-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF PLPBP, PNPO, PDXK LMNA 2869/4885ALDH1A1 3397/4885SMN1; SMN2 2463/4885

“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.