SCHEMBL5924747

SCHEMBL5924747

Cc1ccc(C)c(-c2ccc([CH]C(C)C)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CCR1 P32246 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ CCR8 P51685 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ TP53 P04637 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ ATM Q13315 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ CCR6 P51684 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
SCHEMBL24066438 0.79 CCR1 (0.60) MEN1KMT2AMAPTCCR1CCR5
SCHEMBL5924750 0.75 SMN1; SMN2 (0.43) MEN1KMT2AMAPTCCR1CCR5
SCHEMBL14988155 0.73 ALDH1A1 (0.44) MEN1KMT2AMAPTCCR1CCR5
SCHEMBL24118192 0.71 CCR1 (0.41) MEN1KMT2AMAPTCCR1CCR5
SCHEMBL10022205 0.70 CCR1 (0.38) MEN1KMT2AMAPTCCR1CCR5
SCHEMBL18752609 0.70 KDM4E (0.41) MEN1KMT2AMAPTCCR1CCR5
SCHEMBL5924626 0.70 IDO1 (0.41) KMT2APOLBMAPK14
SCHEMBL4401757 0.69 CCR1 (0.50) MEN1KMT2AMAPTCCR1CCR5
SCHEMBL6256951 0.69 P4HA1 (0.58) MEN1KMT2ASMN1; SMN2CYP2C9MAPK14
SCHEMBL14988563 0.68 KMT2A (0.52) MEN1KMT2AMAPTSMN1; SMN2RAB9A

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-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 — — 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-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK MEN1 3944/4885KMT2A 2967/4885MAPT 3206/4885

“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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