SCHEMBL20535359

SCHEMBL20535359

O=Cc1ccc(Sc2ccc(Cl)c(Cl)c2)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
VCAM1 P19320 1/20 0.37
ALDH1A3 P47895 3/20 0.36
HAO1 Q9UJM8 1/20 0.35
HTR1A P08908 1/20 0.35
HTR3A P46098 1/20 0.35
TERT O14746 1/20 0.35
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH3A1 P30838 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM5 P41594 1/20 0.33
CYP2A6 P11509 1/20 0.33
PDE7A Q13946 1/20 0.33
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL20535857 0.80 ALDH1A1 (0.47) ALDH1A1VCAM1HAO1HTR1AHTR3A
SCHEMBL6928587 0.78 CYP2A6 (0.47) ALDH1A1ALDH1A3HTR1AHTR3AICAM1
SCHEMBL6926763 0.77 ALDH1A1 (0.47) ALDH1A1VCAM1TERTICAM1SELE
SCHEMBL6929988 0.77 VCAM1 (0.61) ALDH1A1VCAM1MEN1KMT2ALMNA
SCHEMBL671268 0.74 ALDH1A1 (0.64) ALDH1A1VCAM1ALDH1A3ALDH3A1TDP1
SCHEMBL29723741 0.74 ALDH1A1 (0.64) ALDH1A1VCAM1ALDH1A3ALDH3A1TDP1
SCHEMBL20535361 0.74 ICAM1 (0.31) ICAM1SELE
SCHEMBL12375092 0.73 TERT (0.43) ALDH1A1HAO1TERTICAM1SELE
SCHEMBL48577 0.72 ALDH1A1 (1.00) ALDH1A1VCAM1ALDH1A3KMT2AALDH3A1
SCHEMBL29364412 0.72 ALDH1A1 (1.00) ALDH1A1VCAM1ALDH1A3KMT2AALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
WO-2018191146-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-10-18 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 (2 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-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS ALDH1A1 3621/4885VCAM1 4064/4885ALDH1A3 2398/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS ALDH1A1 3277/4885VCAM1 4578/4885ALDH1A3 2289/4885

“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.