SCHEMBL3901597

SCHEMBL3901597

CCCN(C(=O)c1cc(-c2ccc(F)cc2)oc1C)c1cccc(CO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ LTB4R2 Q9NPC1 5/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL3913375 0.92 RAB9A (0.40) RAB9ANPC1LTB4R2ALDH1A1LMNA
SCHEMBL3913346 0.88 RAB9A (0.51) RAB9ANPC1LTB4R2ALDH1A1LMNA
SCHEMBL3905610 0.85 ALDH1A1 (0.39) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL13802095 0.85 ALDH1A1 (0.38) RAB9ANPC1THRBALDH1A1LMNA
SCHEMBL3905527 0.83 MAPT (0.41) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL13802097 0.78 GPX4 (0.40) RAB9ANPC1LTB4R2ALDH1A1LMNA
SCHEMBL3904664 0.77 TP53 (0.40) RAB9ANPC1LTB4R2ALDH1A1LMNA
SCHEMBL3903353 0.76 MEN1 (0.57) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL13802104 0.76 RAB9A (0.48) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL13791108 0.76 RAB9A (0.46) RAB9ANPC1LTB4R2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 — — US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 — — US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 — — US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 — — US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 — — 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 RAB9A 4758/4885NPC1 679/4885LTB4R2 40/4885

“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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