SCHEMBL2225435

SCHEMBL2225435

CC(C)(C)c1cnc(-c2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 8/20 0.45
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
HPGDS O60760 2/20 0.42
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39

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
SCHEMBL10311038 0.83 CDC7 (0.45) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL2282967 0.82 HDAC1 (0.42) HDAC1HDAC6ALDH1A1NPC1RAB9A
SCHEMBL10022329 0.82 HPGDS (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6615513 0.82 GAA (0.53) HDAC6NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL23367909 0.81 SMN1; SMN2 (0.47) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7229326 0.81 HDAC1 (0.31) HDAC1HDAC6NPC1RAB9AKDM4E
SCHEMBL2226404 0.81 TAAR1 (0.43) HDAC1HDAC6ALDH1A1NPC1RAB9A
SCHEMBL12789247 0.81 HDAC1 (0.44) HDAC1HDAC6ALDH1A1NPC1RAB9A
SCHEMBL12737784 0.81 PDPK1 (0.32) PDPK1
SCHEMBL21654019 0.79 KDM4E (0.46) HDAC1HDAC6ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-10472336-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-12 US disclosed
US-10358427-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-23 US disclosed
US-20190040023-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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 (4 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-10472336-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT HDAC1 293/4885HDAC6 689/4885ALDH1A1 978/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 HDAC1 392/4885HDAC6 413/4885ALDH1A1 2109/4885
US-20190040023-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT HDAC1 293/4885HDAC6 689/4885ALDH1A1 978/4885
US-10358427-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT HDAC1 293/4885HDAC6 689/4885ALDH1A1 978/4885

“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.