SCHEMBL7098006

SCHEMBL7098006

S=C(Nc1ccc(I)cc1)NC1CCCCC1NC(=S)Nc1ccc(I)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
SMN1; SMN2 Q16637 11/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 2/20 0.53
POLB P06746 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 6/20 0.51
EPHX1 P07099 1/20 0.51
EPHX2 P34913 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 6/20 0.51
ALOX12 P18054 4/20 0.50
HTT P42858 4/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GAA P10253 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL23453374 0.86 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1POLBCYP1A2
SCHEMBL28033892 0.82 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1POLBCYP1A2
SCHEMBL23453369 0.82 SMN1; SMN2 (0.60) IDO1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL7525877 0.76 MEN1 (0.76) IDO1SMN1; SMN2RAB9ACYP1A2CYP3A4
SCHEMBL28756963 0.74 SMN1; SMN2 (0.83) SMN1; SMN2RAB9ANPC1POLBCYP1A2
SCHEMBL5452974 0.73 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1POLBCYP1A2
SCHEMBL7103409 0.72 KMT2A (0.54) IDO1SMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL14851122 0.72 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1POLBCYP1A2
SCHEMBL23453335 0.72 SMN1; SMN2 (0.59) IDO1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL14855962 0.72 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1POLBCYP1A2

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 IDO1 125/4885SMN1; SMN2 4553/4885RAB9A 4666/4885

“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.