SCHEMBL1944353

SCHEMBL1944353

O=C(NCCO)c1ccc(-c2cn3nc(NCc4ccc(F)cc4)sc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
F2RL3 Q96RI0 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL1945156 0.88 THRB (0.51) MAPTLMNAGAATHRBCA12
SCHEMBL1944750 0.88 ALDH1A1 (0.44) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL2251741 0.82 F2RL3 (0.50) MAPTLMNAGAATHRBCA12
SCHEMBL1944812 0.82 THRB (0.48) MAPTLMNATHRBKDM4EALDH1A1
SCHEMBL1946532 0.81 KDM4E (0.51) MAPTLMNAKDM4EALDH1A1F2RL3
SCHEMBL1944146 0.81 RAB9A (0.49) MAPTLMNAKDM4EALDH1A1F2RL3
SCHEMBL1945306 0.81 MAPT (0.48) MAPTLMNATHRBKDM4EALDH1A1
SCHEMBL1944709 0.81 ALDH1A1 (0.48) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL1945101 0.80 KDM4E (0.45) MAPTLMNATHRBKDM4EALDH1A1
SCHEMBL2257205 0.80 F2RL3 (0.50) MAPTLMNAGAAKDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP claimed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 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-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R MAPT 4021/4885LMNA 3477/4885GAA 4051/4885

“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.