SCHEMBL2860117

SCHEMBL2860117

O=C(OCc1ccccc1)N1CCC(c2nc3ccc(F)cc3o2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 4/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TRPC3 Q13507 1/20 0.49
TRPC7 Q9HCX4 1/20 0.49
CYP2C19 P33261 1/20 0.48
THRB P10828 1/20 0.48
GRIN2B Q13224 6/20 0.47
HTR2B P41595 1/20 0.47
TP53 P04637 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL2856519 0.87 LMNA (0.57) SMN1; SMN2LMNANPC1RAB9ACYP2C19
SCHEMBL2711779 0.82 TP53 (0.53) SMN1; SMN2LMNANPC1RAB9ACYP2C19
SCHEMBL2707092 0.82 LMNA (0.48) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL2711768 0.81 LMNA (0.57) SMN1; SMN2LMNANPC1RAB9ACYP2C19
SCHEMBL2709553 0.80 CETP (0.48) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL20135500 0.80 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL2710063 0.79 LMNA (0.52) SMN1; SMN2LMNANPC1RAB9ATHRB
SCHEMBL8166206 0.79 TRPC3 (0.45) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL2709362 0.79 NPC1 (0.54) SMN1; SMN2LMNANPC1RAB9ATHRB
SCHEMBL2709675 0.78 GRIN2B (0.56) SMN1; SMN2NPC1RAB9ATRPC3TRPC7

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
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 SMN1; SMN2 3494/4885MEN1 3295/4885KMT2A 1595/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 SMN1; SMN2 2677/4885MEN1 2196/4885KMT2A 1883/4885

“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.