SCHEMBL20535667

SCHEMBL20535667

Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
TDP1 Q9NUW8 4/20 0.67
MAPT P10636 2/20 0.67
LMNA P02545 1/20 0.67
MAPK1 P28482 1/20 0.67
GFER P55789 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.56
SIGMAR1 Q99720 1/20 0.51
DRD4 P21917 4/20 0.51
KDM4E B2RXH2 4/20 0.51
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
PRMT1 Q99873 1/20 0.48
GAA P10253 2/20 0.47
NCF1 P14598 1/20 0.47
CASP1 P29466 1/20 0.47
CASP5 P51878 1/20 0.47

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
SCHEMBL13419712 0.95 ALDH1A1 (0.60) ALDH1A1TDP1MAPTLMNAMAPK1
SCHEMBL11836396 0.85 MAPT (0.74) ALDH1A1TDP1MAPTSMN1; SMN2SIGMAR1
SCHEMBL19212045 0.83 TRPC5 (0.52) ALDH1A1TDP1SMN1; SMN2SIGMAR1DRD4
SCHEMBL23696644 0.82 ALDH1A1 (0.48) ALDH1A1TDP1MAPTLMNAMAPK1
SCHEMBL13568797 0.82 ALDH1A1 (0.71) ALDH1A1TDP1LMNAMAPK1SMN1; SMN2
SCHEMBL17265648 0.81 ALDH1A1 (0.77) ALDH1A1TDP1MAPTLMNAMAPK1
SCHEMBL1956199 0.80 MAPT (1.00) ALDH1A1TDP1MAPTLMNAMAPK1
SCHEMBL9117228 0.80 PRMT1 (0.54) ALDH1A1TDP1MAPTLMNAGFER
SCHEMBL159281 0.79 MAPT (0.68) ALDH1A1TDP1MAPTLMNAMAPK1
SCHEMBL13419333 0.79 LMNA (0.54) ALDH1A1TDP1MAPTLMNAMAPK1

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 5 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-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
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 3621/4885TDP1 2905/4885MAPT 4119/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS ALDH1A1 3277/4885TDP1 2657/4885MAPT 2840/4885

“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.