SCHEMBL7048199

SCHEMBL7048199

O=C(Nc1c[c]ccc1NC1CCCCC1)NC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 5/20 0.51
NPC1 O15118 3/20 0.51
EPHX2 P34913 5/20 0.50
EPHX1 P07099 5/20 0.49
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL9013562 0.76 EPHX1 (0.71) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL3760386 0.74 EPHX1 (0.68) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL6439308 0.74 KMT2A (1.00) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL16320285 0.71 KDM4E (0.42) KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL13756244 0.70 EPHX1 (0.86) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL1514659 0.70 EPHX1 (0.83) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL13756248 0.68 EPHX1 (0.83) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL11336178 0.68 RAB9A (1.00) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL28651774 0.68 KMT2A (0.79) KMT2ASMN1; SMN2MEN1HTTRAB9A
SCHEMBL2374957 0.68 NPSR1 (0.42) KMT2ASMN1; SMN2MEN1HTTRAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1214293-A1 NON-PEPTIDIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2002-06-19 EP disclosed
WO-2001017953-A1 NON-PEPTIDIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2001-03-15 WO 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 KMT2A 4714/4885SMN1; SMN2 4286/4885MEN1 2691/4885
US-20030232815-A1 Non-peptidic cyclophilin binding compounds and their use GAP43, PPIG, FKBP14 KMT2A 4786/4885SMN1; SMN2 201/4885MEN1 4212/4885

“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.