SCHEMBL24917151

SCHEMBL24917151

Cc1nc(C(C)(C)C)ccc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.34
NPC1 O15118 5/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.31
EDNRA P25101 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL26065245 0.85 NPC1 (0.32) RAB9ANPC1ALDH1A1MAPK1LMNA
SCHEMBL15741229 0.85 RAB9A (0.35) RAB9ANPC1ALDH1A1MAPK1LMNA
SCHEMBL17119432 0.82 KDM4E (0.41) RAB9ANPC1ALDH1A1MAPK1LMNA
SCHEMBL19121885 0.81 RAB9A (0.31) RAB9ANPC1ALDH1A1MAPK1KMT2A
SCHEMBL19743792 0.80 CHRNA7 (0.35)
SCHEMBL27884572 0.76 TDP1 (0.34) RAB9ANPC1ALDH1A1MAPK1
SCHEMBL12570324 0.75 NOS3 (0.48) ALDH1A1TSHRKDM4EMAPT
SCHEMBL8008974 0.74 TDP1 (0.36) TSHRKDM4E
SCHEMBL29265373 0.74 ELANE (0.34) ALDH1A1KMT2AKDM4E
SCHEMBL19744110 0.74 RAB9A (0.33) RAB9ANPC1ALDH1A1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230020507-A1 COMPOUND AND USE THEREOF IN TREATING AUTOIMMUNE DISEASES PARENCHYMA BIOTECH INC. (KR) 2023-01-19 US 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-20230020507-A1 COMPOUND AND USE THEREOF IN TREATING AUTOIMMUNE DISEASES VIP, BACH1, IL17A RAB9A 1377/4885NPC1 4142/4885ALDH1A1 841/4885

“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.