SCHEMBL6724672

SCHEMBL6724672

O=C(NCc1cccc2ccccc12)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
BCHE P06276 4/20 0.56
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
PKM P14618 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGES O14684 1/20 0.52
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
HDAC6 Q9UBN7 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL3777748 0.86 MAPT (0.67) MAPTLMNASMN1; SMN2BCHECYP1A2
SCHEMBL3771748 0.85 PTGES (0.69) MAPTLMNASMN1; SMN2BCHECYP1A2
SCHEMBL3778640 0.84 RHOC (0.57) MAPTLMNASMN1; SMN2BCHEKCNK3
SCHEMBL3771262 0.82 MAPT (0.71) MAPTLMNASMN1; SMN2BCHECYP1A2
SCHEMBL3774815 0.81 TP53 (0.58) MAPTLMNASMN1; SMN2BCHEPKM
SCHEMBL3774731 0.81 MAPT (0.54) MAPTLMNASMN1; SMN2BCHEMEN1
SCHEMBL3779966 0.81 MAPT (0.54) MAPTLMNASMN1; SMN2BCHEMEN1
SCHEMBL3771548 0.81 BCHE (0.68) MAPTLMNASMN1; SMN2BCHEMEN1
SCHEMBL3765642 0.79 MAPT (0.69) MAPTLMNASMN1; SMN2BCHECYP1A2
SCHEMBL3772291 0.78 MAPT (0.68) MAPTCYP1A2CYP3A4CYP2D6PKM

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-6677376-B1 COMPLEXES COMPRISING ROTAMASE INHIBITORS AND CYCLOPHILINS, ADMINISTERED FOR PREVENTION OF NEURODEGENARATIVE DISEASES SUCH AS PARKINSON'S OR ALZHEIMER'S DISEASE GUILFORD PHARMACEUTICALS, INC. 2004-01-13 US disclosed
US-20030232815-A1 Non-peptidic cyclophilin binding compounds and their use HAMILTON GREGORY S (US) 2003-12-18 US disclosed
US-6593362-B2 Medical conditions involving breakdown of mitochondrial energy metabolism induced by calcium overload, in treating alopecia and promoting hair growth, in treating infections with filarial and helmintic parasites, and in treating and GUILFORD PHARMACEUTICALS INC. 2003-07-15 US disclosed
US-20030055009-A1 Non-peptidic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2003-03-20 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 (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-20030055009-A1 Non-peptidic cyclophilin binding compounds and their use PPIF, HSPE1, PPIG MAPT 1353/4885LMNA 3215/4885SMN1; SMN2 4286/4885
US-20030232815-A1 Non-peptidic cyclophilin binding compounds and their use GAP43, PPIG, FKBP14 MAPT 392/4885LMNA 3001/4885SMN1; SMN2 201/4885

“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.