SCHEMBL25197838

SCHEMBL25197838

O=C1CCCN1c1ncc(Br)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
HSD17B10 Q99714 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
PIM1 P11309 2/20 0.36
CYP11B2 P19099 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALOX5AP P20292 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F10 P00742 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PLAU P00749 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL29818809 1.00 CNR2 (0.40) CNR2KMT2AMEN1TSHRNPC1
SCHEMBL25742603 0.91 PLAU (0.35) CNR2KMT2ANPC1HSD17B10MALT1
SCHEMBL24759988 0.83 CNR2 (0.41) CNR2KMT2AMEN1TSHRHSD17B10
SCHEMBL31068325 0.78 ALOX5AP (0.38) KMT2AMEN1TSHRNPC1HSD17B10
SCHEMBL29348878 0.78 ALOX5AP (0.38) KMT2AMEN1TSHRNPC1HSD17B10
SCHEMBL30142174 0.77 ALDH1A1 (0.47) CNR2KMT2AMEN1HSD17B10MALT1
SCHEMBL29112112 0.77 ALDH1A1 (0.47) CNR2KMT2AMEN1HSD17B10MALT1
SCHEMBL24441089 0.75 CYP11B1 (0.35) CNR2KMT2AMEN1CYP11B2ALDH1A1
SCHEMBL14861665 0.74 POLB (0.52) KMT2AMEN1NPC1ALDH1A1HPGD
SCHEMBL16914120 0.74 HSD17B10 (0.49) CNR2KMT2AMEN1TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148732-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. 2024-05-09 US disclosed
EP-4284804-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS Schrödinger, Inc. (US) 2023-12-06 EP disclosed
CN-117120442-A Tricyclic compounds useful for treating cancer, autoimmune disorders, and inflammatory disorders 薛定谔公司 2023-11-24 CN disclosed
WO-2022164789-A9 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. (US) 2023-05-25 WO disclosed
WO-2022164789-A9 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. (US) 2023-05-25 WO disclosed
WO-2022164789-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISODERS SCHRÖDINGER, INC. (US) 2022-08-04 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-20240148732-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS MALT1, LITAF, IL2 CNR2 359/4885KMT2A 3350/4885MEN1 605/4885

“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.