SCHEMBL3664828

SCHEMBL3664828

Cc1ccc(-c2cc[c]nn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
POLB P06746 2/20 0.42
NOTUM Q6P988 2/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MITF O75030 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5C P41229 1/20 0.36

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
SCHEMBL533052 0.79 NOTUM (0.38) KMT2ANOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL534494 0.79 RAB9A (0.46) KMT2ANOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL11105237 0.79 ADORA2A (0.39) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL2751278 0.79 NPC1 (0.40) KMT2ANOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL352435 0.79 NPC1 (0.49) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL533161 0.78 RAB9A (0.41) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL11112616 0.74 RIPK1 (0.35) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL10000254 0.74 NPC1 (0.61) KMT2APOLBNOTUMNPC1RAB9A
SCHEMBL2751228 0.73 ALPL (0.40) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10000239 0.71 NPC1 (0.53) KMT2APOLBNOTUMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US claimed
EP-2217239-A2 MODULATION OF PROTEIN TRAFFICKING Foldrx Pharmaceuticals, Inc. (US) 2010-08-18 EP claimed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 WO claimed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
EP-2217239-A2 MODULATION OF PROTEIN TRAFFICKING Foldrx Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 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 (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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B KMT2A 4432/4885POLB 3988/4885NOTUM 3395/4885

“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.