Sugi Predict

Sugi Predict / Compounds / SCHEMBL10141374

SCHEMBL10141374

SCHEMBL10141374

CCCCc1ccc(NC(=O)CC)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ NFKB1 P19838 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ THPO P40225 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ SMN1; SMN2 Q16637 7/20 0.55
▸ RAB9A P51151 7/20 0.54

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
SCHEMBL2619352 0.91 HSD17B10 (0.55) MAPTL3MBTL1TSHRMEN1KMT2A
SCHEMBL11469631 0.86 NFKB1 (0.60) MAPTL3MBTL1TSHRALDH1A1NFKB1
SCHEMBL2619350 0.84 HSD17B10 (0.57) MAPTL3MBTL1TSHRMEN1KMT2A
SCHEMBL2619353 0.82 NFKB1 (0.52) MAPTL3MBTL1TSHRALDH1A1NFKB1
SCHEMBL12462388 0.80 HSD17B10 (0.60) MAPTTSHRMEN1KMT2ATDP1
SCHEMBL21766750 0.79 HSD17B10 (0.52) MAPTL3MBTL1TSHRMEN1KMT2A
SCHEMBL12515305 0.78 MEN1 (0.68) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4550164 0.78 PTK2 (0.57) MAPTL3MBTL1TSHRALDH1A1NFKB1
SCHEMBL28775127 0.76 NFKB1 (0.73) MAPTL3MBTL1TSHRALDH1A1NFKB1
SCHEMBL2619349 0.76 POLB (0.76) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 — — US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 — — US disclosed
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 — — US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — 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 (4 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 MAPT 2988/4885L3MBTL1 2124/4885TSHR 972/4885
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 MAPT 2108/4885L3MBTL1 3138/4885TSHR 3490/4885
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 MAPT 2421/4885L3MBTL1 2298/4885TSHR 1836/4885
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 MAPT 2775/4885L3MBTL1 2849/4885TSHR 2261/4885

“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.