SCHEMBL21164384

SCHEMBL21164384

CCCC(CC)c1cc(Br)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.32
TLR9 Q9NR96 1/20 0.32
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL20032467 0.88 HSP90AA1 (0.37) HSP90AA1TLR9LMNAMAPTSMN1; SMN2
SCHEMBL20032464 0.82 KCNH2 (0.34) LMNA
SCHEMBL19133211 0.82 PYCR1 (0.33) NPSR1
SCHEMBL2572909 0.77 HTT (0.37)
SCHEMBL18713788 0.75 TSHR (0.41) HSP90AA1TLR9LMNAMAPTSMN1; SMN2
SCHEMBL22030027 0.74 HPGD (0.36) KMT2ALMNASMN1; SMN2NPSR1
SCHEMBL18719647 0.72 ESR1 (0.44) KMT2A
SCHEMBL11081598 0.72 HSP90AA1 (0.37) HSP90AA1TLR9KMT2AMAPTTDP1
SCHEMBL22260141 0.71 KDM4E (0.37) SMN1; SMN2
SCHEMBL21164382 0.69 KCNH2 (0.40) KMT2ALMNAMAPTSMN1; SMN2NPSR1

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-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 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 (2 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-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HSP90AA1 584/4885TLR9 1962/4885KMT2A 1610/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A HSP90AA1 584/4885TLR9 1962/4885KMT2A 1610/4885

“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.