SCHEMBL1197533

SCHEMBL1197533

CC(=O)OCc1nc(-c2cccc(C(F)(F)F)c2)sc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ PPARA Q07869 3/20 0.42
▸ PPARG P37231 2/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ ADORA1 P30542 1/20 0.40
▸ RORB Q92753 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL12875868 0.84 ELANE (0.42) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1198088 0.81 ALDH1A1 (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1198654 0.77 ALDH1A1 (0.57) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1936580 0.76 MAPT (0.49) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1198153 0.75 MAPT (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6756856 0.74 MAPT (0.75) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL16403097 0.73 ALDH1A1 (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19122695 0.73 DYRK1A (0.47) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4740518 0.72 ALDH1A1 (0.81) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1198880 0.72 ALDH1A1 (0.47) MAPTMEN1KMT2AALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 — — 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 (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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A MAPT 4667/4885MEN1 2661/4885KMT2A 3197/4885

“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