SCHEMBL28700396

SCHEMBL28700396

COc1cc([C@@H](C)NCCOCc2ccccc2)c(C)c(OC)c1Br

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CD274 Q9NZQ7 1/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRA1D P25100 4/20 0.35
ADRA1A P35348 4/20 0.35
ADRA1B P35368 4/20 0.35
HTR1A P08908 3/20 0.35
G6PD P11413 1/20 0.35
LMNA P02545 1/20 0.34
CCR5 P51681 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL28700397 1.00 KMT2A (0.41) KMT2AMEN1TDP1CD274HTT
SCHEMBL29633507 0.83 MEN1 (0.36) KMT2AMEN1TDP1CD274HTT
SCHEMBL29633575 0.82 KMT2A (0.47) KMT2AMEN1TDP1CD274HTT
Hydrochloric Acid SCHEMBL29633621 0.81 KMT2A (0.49) KMT2AMEN1TDP1CD274HTT
SCHEMBL28936763 0.80 KMT2A (0.42) KMT2AMEN1TDP1SMN1; SMN2LMNA
SCHEMBL28936767 0.80 KMT2A (0.42) KMT2AMEN1TDP1SMN1; SMN2LMNA
SCHEMBL24489000 0.75 HTT (0.38) HTTSMN1; SMN2LMNA
SCHEMBL28706178 0.75 TACR1 (0.37) KMT2AMEN1TDP1SMN1; SMN2ADRA1D
SCHEMBL28706177 0.75 TACR1 (0.37) KMT2AMEN1TDP1SMN1; SMN2ADRA1D
SCHEMBL28715431 0.75 HTT (0.38) HTTSMN1; SMN2LMNA

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
US-12338203-B2 Urea compound for antagonizing LPA1 receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2025-06-24 US disclosed
CN-119823001-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-15 CN disclosed
CN-114206832-B Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-04 CN disclosed
CN-114206832-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2022-03-18 CN 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-12338203-B2 Urea compound for antagonizing LPA1 receptor LPAR1, LPAR2, LPAR3 KMT2A 2533/4885MEN1 2436/4885TDP1 4031/4885

“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.