SCHEMBL7103601

SCHEMBL7103601

O=C(Nc1ccccc1NC(=O)c1ccc(I)cc1)c1ccc(I)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
F10 P00742 1/20 0.61
TOP1 P11387 2/20 0.58
TERT O14746 1/20 0.58
PARP1 P09874 1/20 0.55
TP53 P04637 3/20 0.55
MDM4 O15151 2/20 0.55
HDAC3 O15379 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
TOP2A P11388 1/20 0.55
TOP2B Q02880 1/20 0.55
MAPK1 P28482 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
TRPV1 Q8NER1 1/20 0.53
NCOR2 Q9Y618 1/20 0.53

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
SCHEMBL2882845 0.92 KMT2A (0.59) MEN1KMT2AF10TOP1TERT
SCHEMBL338564 0.91 MEN1 (0.58) MEN1KMT2AF10TOP1TERT
SCHEMBL308111 0.88 NPC1 (0.72) MEN1KMT2AF10TOP1TERT
SCHEMBL338745 0.88 SIRT2 (0.56) MEN1KMT2AF10TOP1TERT
SCHEMBL4890833 0.87 HDAC1 (0.77) HDAC3HDAC1HDAC2MAPK1NPC1
SCHEMBL2732354 0.87 HPGD (0.77) MEN1KMT2AHDAC1MAPK1POLB
SCHEMBL21753947 0.86 MEN1 (0.53) MEN1KMT2AF10TOP1TERT
SCHEMBL5931215 0.85 DHODH (0.76) MEN1KMT2ANPC1RAB9ADHODH
SCHEMBL1110180 0.84 MDM4 (0.73) MEN1KMT2AF10TOP1TERT
SCHEMBL28399871 0.84 KMT2A (0.69) MEN1KMT2ATP53MDM4HDAC1

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
EP-1339668-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 EP claimed
US-20020127605-A1 Bisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS, INC. 2002-09-12 US claimed
WO-2002044126-A2 BISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIRUS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 WO 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 MEN1 4855/4885KMT2A 4656/4885F10 3598/4885

“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.