SCHEMBL20401774

SCHEMBL20401774

Brc1ccc(C2CCC(c3ccc(Br)cc3)N2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.43
KCNH2 Q12809 2/20 0.43
MAOB P27338 2/20 0.43
RCOR1 Q9UKL0 2/20 0.43
KDM1B Q8NB78 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2A6 P11509 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2C P28335 2/20 0.38

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
SCHEMBL20401793 0.82 LMNA (0.47) ALDH1A1MAPTLMNARECQLSLC6A3
SCHEMBL2756273 0.81 KDM1A (0.40) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL2831617 0.79 KCNH2 (0.49) KCNH2MAOBALDH1A1CYP2C19
SCHEMBL14881196 0.78 MAPT (0.48) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL18708238 0.77 MAPT (0.47) KDM1AKCNH2MAOBRCOR1KDM1B
Hydrochloric Acid SCHEMBL15301821 0.76 MAPT (0.47) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL20401811 0.75 DDB1 (0.41) KCNH2ALDH1A1MAPTTDP1CYP3A4
SCHEMBL12973321 0.74 KCNH2 (0.45) KCNH2ALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL23393883 0.74 MEN1 (0.50) KCNH2SMN1; SMN2
SCHEMBL1763291 0.74 MEN1 (0.50) KCNH2SMN1; SMN2

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-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 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 (3 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS KDM1A 3505/4885KCNH2 4523/4885MAOB 3191/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM1A 3505/4885KCNH2 4523/4885MAOB 3191/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS KDM1A 3505/4885KCNH2 4523/4885MAOB 3191/4885

“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.