SCHEMBL31144682

SCHEMBL31144682

CN(C)CCc1nc2cc(Br)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.38
CACNA1G O43497 2/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 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
SCHEMBL12350646 0.79 DDAH1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17494147 0.79 AAK1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9521547 0.78 POLB (0.66) POLBNPC1RAB9A
SCHEMBL28381626 0.77 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31570020 0.76 TDP1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13628993 0.76 RAB9A (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1798574 0.76 RAB9A (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3051488 0.76 ALDH1A1 (0.40) LMNAKMT2AMAPTNPC1RAB9A
SCHEMBL1976712 0.76 TDP1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17513343 0.76 CACNA1H (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4683909-A2 ATM KINASE INHIBITORS Eberhard Karls Universität Tübingen (DE) 2026-01-28 EP disclosed
US-20260015328-A1 ATM KINASE INHIBITORS EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) 2026-01-15 US disclosed
WO-2024194460-A2 ATM KINASE INHIBITORS EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2024-09-26 WO disclosed
EP-4434972-A1 ATM KINASE INHIBITORS Eberhard-Karls-Universität Tübingen (DE) 2024-09-25 EP 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-20260015328-A1 ATM KINASE INHIBITORS ATM, CHEK2, CHEK1 SLC6A4 4428/4885TAAR1 2480/4885HDAC3 255/4885

“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.