SCHEMBL17491527

SCHEMBL17491527

CCCC(=O)Nc1cc(-c2cnco2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ THRB P10828 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GSK3B P49841 2/20 0.42
▸ AAK1 Q2M2I8 1/20 0.42
▸ IMPDH2 P12268 4/20 0.41
▸ IMPDH1 P20839 4/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL17491494 0.86 ALDH1A1 (0.46) LMNAAAK1IMPDH2IMPDH1HDAC3
SCHEMBL17491488 0.86 EGFR (0.42) LMNAMEN1KMT2AAAK1IMPDH2
SCHEMBL17491395 0.85 SMN1; SMN2 (0.52) LMNAMEN1CYP2C19KMT2AAAK1
SCHEMBL17491394 0.85 ALDH1A1 (0.49) LMNAAAK1IMPDH2IMPDH1EGFR
SCHEMBL17491415 0.84 BRAF (0.47) LMNAMEN1KMT2AIMPDH2IMPDH1
SCHEMBL17506981 0.83 AAK1 (0.52) LMNAGSK3BAAK1IMPDH2IMPDH1
SCHEMBL17491518 0.81 AAK1 (0.46) AAK1IMPDH2IMPDH1EGFRFGFR1
SCHEMBL17491450 0.81 IMPDH2 (0.46) LMNAMEN1KMT2AAAK1IMPDH2
SCHEMBL17491503 0.80 LMNA (0.48) LMNATHRBAAK1IMPDH2EGFR
SCHEMBL17491408 0.80 EGFR (0.43) LMNAMEN1KMT2AAAK1IMPDH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982670-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-07 — — EP disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-20160052897-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-25 — — US disclosed
EP-2982670-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
EP-2982670-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP 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-20160052897-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 LMNA 1584/4885THRB 4622/4885MEN1 125/4885

“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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