SCHEMBL4192026

SCHEMBL4192026

COc1ccc(-c2cc(C(F)(F)F)nn2CC(=O)Nc2ncc(C)s2)cc1OC1CCCO1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
TSHR P16473 2/20 0.42
PDE4B Q07343 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
ALOX12 P18054 1/20 0.39
MAPK10 P53779 1/20 0.39
FYN P06241 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 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
SCHEMBL3599607 0.84 SMN1; SMN2 (0.43) KMT2ATSHRPDE4BSMN1; SMN2ALDH1A1
SCHEMBL3602947 0.83 PDE4B (0.50) TSHRPDE4BALDH1A1CYP1A2CYP3A4
SCHEMBL3605228 0.82 PDE4B (0.47) TSHRPDE4BALDH1A1CYP1A2CYP3A4
SCHEMBL3611624 0.76 PDE4B (0.44) TSHRPDE4BFYNALDH1A1
SCHEMBL3540503 0.75 PDE4B (0.44) KMT2APDE4BNPC1RAB9ASMN1; SMN2
SCHEMBL5197370 0.74 PDE4B (0.44) TSHRPDE4BALDH1A1LMNACYP1A2
SCHEMBL4188572 0.74 PDE4B (0.47) TSHRPDE4BALDH1A1CYP1A2CYP3A4
SCHEMBL3611903 0.73 CES2 (0.41) KMT2ATSHRPDE4BFYN
SCHEMBL13343034 0.72 LMNA (0.41) KMT2ATSHRPDE4BSMN1; SMN2ALDH1A1
SCHEMBL4185477 0.72 PDE4B (0.42) TSHRPDE4BSMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495017-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-24 US claimed
US-20070203197-A1 Phosphodiesterase 4 inhibitors HOPPER ALLEN 2007-08-30 US claimed
US-20040229918-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-11-18 US claimed
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-09-03 US disclosed
US-7495017-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-24 US disclosed
US-20070203197-A1 Phosphodiesterase 4 inhibitors HOPPER ALLEN 2007-08-30 US disclosed
US-7226930-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICAL CORPORATION (US) 2007-06-05 US disclosed
US-20040229918-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-11-18 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 (3 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-20070203197-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 KMT2A 1669/4885TSHR 2407/4885PDE4B 2/4885
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 KMT2A 1669/4885TSHR 2407/4885PDE4B 2/4885
US-20040229918-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 KMT2A 1669/4885TSHR 2407/4885PDE4B 2/4885

“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.