SCHEMBL7516731

SCHEMBL7516731

O=C(CCCCc1ccccc1)Nc1cccc(/C=N/NC(=S)Nc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 6/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
RRM1 P23921 1/20 0.43
RRM2 P31350 1/20 0.43
RRM2B Q7LG56 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 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
SCHEMBL7103485 0.79 MAPT (0.55) MAPTGAALMNAKMT2AALDH1A1
SCHEMBL7099041 0.78 MAPT (0.54) MAPTGAALMNAKMT2AALDH1A1
SCHEMBL7104019 0.76 HDAC3 (0.59) MAPTGAAKMT2AALDH1A1NPC1
SCHEMBL6154622 0.74 SMN1; SMN2 (0.55) MAPTGAALMNAKMT2AALDH1A1
SCHEMBL6153416 0.72 KMT2A (0.52) MAPTGAALMNAKMT2AALDH1A1
SCHEMBL6841073 0.72 HDAC3 (0.48) MAPTGAALMNAKMT2AALDH1A1
SCHEMBL15107476 0.70 L3MBTL1 (0.74) MAPTLMNAKMT2AALDH1A1NPC1
SCHEMBL6665515 0.69 MAPT (0.52) MAPTGAALMNAKMT2AALDH1A1
SCHEMBL6153460 0.68 RRM1 (0.56) MAPTGAALMNAKMT2AALDH1A1
SCHEMBL28099312 0.68 MAPT (0.74) MAPTALDH1A1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 US claimed
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 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-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use PPIG, PIN1, PPIH MAPT 1168/4885GAA 1627/4885LMNA 4569/4885

“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.