SCHEMBL23627121

SCHEMBL23627121

CCC(C)c1ccc(CNC(C)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ HDAC1 Q13547 4/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ RAB9A P51151 4/20 0.50
▸ MAPT P10636 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ HDAC3 O15379 3/20 0.48
▸ HDAC2 Q92769 3/20 0.48
▸ ADAMTS4 O75173 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44

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
SCHEMBL12646172 0.84 KMT2A (0.56) KMT2AHDAC1HDAC6RAB9AMAPT
SCHEMBL15373710 0.84 TSHR (0.47) KMT2ATSHRRAB9AMAPTALDH1A1
SCHEMBL13104785 0.84 RAB9A (0.61) KMT2AHDAC1HDAC6RAB9AMAPT
SCHEMBL23627357 0.83 KDM4E (0.60) HDAC1HDAC6TSHRMAPTALDH1A1
SCHEMBL5988669 0.82 KMT2A (0.58) KMT2AHDAC1HDAC6RAB9AMAPT
SCHEMBL11963813 0.82 KMT2A (0.45) KMT2ATSHRRAB9AMAPTALDH1A1
SCHEMBL12667812 0.82 KMT2A (0.47) KMT2ATSHRRAB9AMAPTALDH1A1
SCHEMBL12133623 0.81 KMT2A (0.76) KMT2AHDAC1HDAC6RAB9AMAPT
SCHEMBL11963819 0.81 KMT2A (0.44) KMT2ATSHRRAB9AALDH1A1MEN1
SCHEMBL5986924 0.81 KMT2A (0.56) KMT2AHDAC1HDAC6RAB9AMAPT

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 1 patent. 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

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-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A KMT2A 1610/4885HDAC1 409/4885HDAC6 2031/4885

“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.

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