SCHEMBL27140457

SCHEMBL27140457

O=C(O)N[C@H]1CCN(c2ccc(Cl)cc2Br)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.50
USP30 Q70CQ3 3/20 0.41
ACKR3 P25106 1/20 0.41
NPC1 O15118 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CNR1 P21554 1/20 0.40
SMPD3 Q9NY59 2/20 0.39
HMOX1 P09601 1/20 0.38
GRM2 Q14416 2/20 0.38
GRM3 Q14832 2/20 0.38
SLC6A12 P48065 1/20 0.37

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
SCHEMBL27140458 1.00 NOTUM (0.50) NOTUMUSP30ACKR3NPC1HDAC1
SCHEMBL27152640 1.00 NOTUM (0.50) NOTUMUSP30ACKR3NPC1HDAC1
SCHEMBL27142997 0.93 CNR1 (0.48) NOTUMUSP30NPC1CNR1
SCHEMBL27142998 0.93 CNR1 (0.48) NOTUMUSP30NPC1CNR1
SCHEMBL30781309 0.83 PIM1 (0.49)
SCHEMBL30781462 0.83 PIM1 (0.49)
SCHEMBL1027561 0.81 TDP1 (0.48)
SCHEMBL4367577 0.81 TDP1 (0.48)
SCHEMBL15093842 0.80 NOTUM (0.50) NOTUMUSP30ACKR3CNR1SMPD3
SCHEMBL1534166 0.78 NOTUM (0.61) NOTUMUSP30ACKR3HDAC1HDAC8

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-20240150362-A1 Substituted Pyrrolotriazines MOLECURE S.A. (PL) 2024-05-09 US disclosed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 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 (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-20240150362-A1 Substituted Pyrrolotriazines USP7, UBA7, USP5 NOTUM 3224/4885USP30 10/4885ACKR3 3948/4885

“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.