SCHEMBL6539262

SCHEMBL6539262

CCOc1ccc(-c2ccc(-c3nnc(N)s3)cc2)cc1

nearest known ligand 0.97

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.97
RAB9A P51151 7/20 0.97
SMN1; SMN2 Q16637 6/20 0.97
NPC1 O15118 5/20 0.97
HSD17B10 Q99714 4/20 0.97
TP53 P04637 2/20 0.97
MAPT P10636 2/20 0.75
LMNA P02545 2/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
NOTUM Q6P988 2/20 0.67
ALDH1A1 P00352 3/20 0.66
GAA P10253 5/20 0.64
MGAM O43451 4/20 0.64
SI P14410 4/20 0.64
MGAM2 Q2M2H8 4/20 0.64
HPGD P15428 2/20 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
SCHEMBL7323592 0.86 RAB9A (1.00) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL6538920 0.83 RAB9A (0.94) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL17713905 0.81 KDM4E (0.76) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL20703807 0.80 NOTUM (1.00) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL1143740 0.80 KDM4E (1.00) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL16479583 0.79 RAB9A (0.78) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL3107207 0.79 RAB9A (0.76) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL1868793 0.78 KDM4E (0.66) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL27903833 0.78 KDM4E (0.96) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL21156447 0.78 RAB9A (0.74) KDM4ERAB9ASMN1; SMN2NPC1HSD17B10

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
US-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY ASTELLAS PHARMA INC. (JP) 2002-12-19 US disclosed
EP-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 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-20020193560-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY NGLY1, CHIT1, MANBA KDM4E 4695/4885RAB9A 3674/4885SMN1; SMN2 3649/4885

“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.