SCHEMBL3362022

SCHEMBL3362022

N=C(N)c1ccc(OC(=O)/C=C/c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.68
▸ MAPT P10636 6/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ MAOB P27338 2/20 0.50
▸ PLG P00747 1/20 0.50
▸ PLAU P00749 1/20 0.50
▸ PLAT P00750 1/20 0.50
▸ KLK1 P06870 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HSPD1 P10809 1/20 0.50
▸ TNFRSF1A P19438 1/20 0.50

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
SCHEMBL3362024 1.00 KMT2A (0.68) KMT2AMAPTALDH1A1KDM4ETDP1
SCHEMBL7338984 0.89 PLAU (0.63) KMT2AMAPTALDH1A1KDM4ETDP1
SCHEMBL7338981 0.89 PLAU (0.63) KMT2AMAPTALDH1A1KDM4ETDP1
SCHEMBL11091261 0.86 KMT2A (0.69) KMT2AMAPTALDH1A1KDM4ETDP1
SCHEMBL11091258 0.86 KMT2A (0.69) KMT2AMAPTALDH1A1KDM4ETDP1
SCHEMBL11091252 0.86 KMT2A (0.69) KMT2AMAPTALDH1A1KDM4ETDP1
SCHEMBL10492940 0.85 MAOB (0.54) KMT2AMAPTALDH1A1KDM4ETDP1
SCHEMBL16982630 0.85 KMT2A (0.83) KMT2AMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL7341758 0.82 FTO (0.56) KMT2AMAPTALDH1A1KDM4ETDP1
Phenyl Cinnamate SCHEMBL1055160 0.82 KMT2A (0.77) KMT2AMAPTALDH1A1TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 — — US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 — — US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 — — WO disclosed
US-4808405-A ANTICOAGULANT BEECHAM GROUP P.L.C. (GB) 1989-02-28 — — US disclosed
EP-0151593-B1 ENZYME DERIVATIVES BEECHAM GROUP PLC (GB) 1989-02-22 — — EP disclosed
US-4604285-A ANTICOAGULANT BEECHAM GROUP P.L.C. (GB) 1986-08-05 — — US disclosed
EP-0151593-A1 ENZYME DERIVATIVES. BEECHAM GROUP PLC (GB) 1985-08-21 — — EP disclosed
WO-1985000521-A1 ENZYME DERIVATIVES BEECHAM GROUP P.L.C. (GB) 1985-02-14 — — WO disclosed
EP-0009879-B1 ENZYME DERIVATIVES FOR USE IN THE TREATMENT OF VENOUS THROMBOSIS, COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION BEECHAM GROUP PLC (GB) 1983-10-12 — — EP disclosed
EP-0028489-B1 ENZYME DERIVATIVES, AND THEIR PREPARATION BEECHAM GROUP PLC (GB) 1983-10-05 — — EP disclosed
US-4337244-A COMPRISING A FIBRINOLYTIC ENZYME BLOCKED BY AN END GROUP REMOVABLE BY HYDROLYSIS BEECHAM GROUP LIMITED (GB) 1982-06-29 — — US disclosed
US-4285932-A Enzyme derivatives for use in the treatment of venous thrombosis BEECHAM GROUP LIMITED (GB) 1981-08-25 — — US disclosed
EP-0028489-A1 Enzyme derivatives, and their preparation BEECHAM GROUP PLC (GB) 1981-05-13 — — EP disclosed
EP-0009879-A1 Enzyme derivatives for use in the treatment of venous thrombosis, compositions containing them and their preparation BEECHAM GROUP PLC (GB) 1980-04-16 — — 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 (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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A KMT2A 1108/4885MAPT 1527/4885ALDH1A1 2240/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 KMT2A 2353/4885MAPT 3341/4885ALDH1A1 785/4885

“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