SCHEMBL3107207

SCHEMBL3107207

COCCCCCCOc1ccc(-c2nnc(N)s2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.76
MAPT P10636 2/20 0.76
LMNA P02545 2/20 0.76
KDM4E B2RXH2 8/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
NPC1 O15118 4/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
TP53 P04637 2/20 0.67
HSD17B10 Q99714 2/20 0.67
ALDH1A1 P00352 3/20 0.63
MGAM O43451 4/20 0.58
GAA P10253 4/20 0.58
SI P14410 4/20 0.58
MGAM2 Q2M2H8 4/20 0.58
HPGD P15428 1/20 0.48
NOTUM Q6P988 2/20 0.47
QPCT Q16769 2/20 0.46
QPCTL Q9NXS2 1/20 0.46

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
SCHEMBL17713905 0.91 KDM4E (0.76) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6538920 0.87 RAB9A (0.94) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL7323592 0.87 RAB9A (1.00) RAB9AMAPTLMNAKDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL6132856 0.87 RAB9A (0.62) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL16479583 0.84 RAB9A (0.78) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL21156447 0.82 RAB9A (0.74) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL12939777 0.82 RAB9A (0.74) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL677615 0.81 RAB9A (0.50) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6539262 0.79 KDM4E (0.97) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL7316607 0.79 NR1H4 (0.65) TP53

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-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2204379-A1 POLYPEPTIDE COMPOUND Astellas Pharma Inc. (JP) 2010-07-07 EP 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-20100256048-A1 POLYPEPTIDE COMPOUND VIP, ANPEP, NPEPPS RAB9A 3040/4885MAPT 3126/4885LMNA 3162/4885

“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.