SCHEMBL22639289

SCHEMBL22639289

CC(C)c1cc(CC(C)c2cnccn2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ NR3C2 P08235 2/20 0.34
▸ CYP2D6 P10635 5/20 0.33
▸ HRH1 P35367 5/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KCNH2 Q12809 3/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ACHE P22303 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
SCHEMBL23661911 0.85 CYP1A2 (0.36) ESR1ESR2NR3C2CYP2D6HRH1
SCHEMBL20285552 0.83 ESR1 (0.38) ESR1ESR2
SCHEMBL20694181 0.81 NR3C2 (0.42) NR3C2CYP2D6CYP3A4KCNH2KDM4E
SCHEMBL22844051 0.79 NR3C2 (0.43) ESR1ESR2NR3C2CYP3A4KCNH2
SCHEMBL12120626 0.78 GABRA1 (0.40) NR3C2KMT2AKDM4ESMN1; SMN2
SCHEMBL24185043 0.77 KDM4E (0.30) KDM4EALDH1A1SMN1; SMN2
SCHEMBL19227962 0.76 NR3C2 (0.56) ESR1ESR2NR3C2ALDH1A1
SCHEMBL25744955 0.75 HTR2A (0.33) NR3C2
SCHEMBL18763524 0.75 ADRB2 (0.46) NR3C2CYP2D6CYP3A4KMT2AALDH1A1
SCHEMBL25135962 0.75 NR3C2 (0.36) NR3C2CYP2D6CYP3A4KCNH2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221803-A1 ATF6 INHIBITORS AND USES THEREOF ALTOS LABS, INC. 2021-07-22 — — US disclosed
US-10829485-B2 ATF6 inhibitors and uses thereof BLACK BELT TX LTD (GB) 2020-11-10 — — 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 (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-10829485-B2 ATF6 inhibitors and uses thereof ATF4, XBP1, ATF1 ESR1 776/4885ESR2 231/4885NR3C2 1808/4885
US-20210221803-A1 ATF6 INHIBITORS AND USES THEREOF ATF4, XBP1, ATF1 ESR1 776/4885ESR2 231/4885NR3C2 1808/4885

“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.

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