SCHEMBL855666

SCHEMBL855666

CCc1ccc(C(N)c2ccc(C(=O)N(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PLK1 P53350 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ OPRD1 P41143 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ LIMK2 P53671 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4485529 0.86 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDPLK1EPHX2
SCHEMBL14840584 0.78 TSHR (0.54) ALDH1A1SMN1; SMN2LMNACYP2C19TDP1
SCHEMBL21628616 0.77 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2HPGDPLK1LMNA
SCHEMBL8248223 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDACACBOPRD1
SCHEMBL12052087 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDACACBOPRD1
SCHEMBL13814506 0.74 HDAC8 (0.58) ALDH1A1SMN1; SMN2HPGDEPHX2NR1H4
SCHEMBL25356949 0.73 SLC7A5 (0.61) ALDH1A1SMN1; SMN2LMNAACACBMEN1
SCHEMBL25356945 0.73 SLC7A5 (0.61) ALDH1A1SMN1; SMN2LMNAACACBMEN1
SCHEMBL3818379 0.73 LOXL2 (0.55) ALDH1A1SMN1; SMN2HPGDEPHX2NR1H4
SCHEMBL855667 0.73 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDPLK1EPHX2

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-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 — — EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 — — EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 — — US disclosed
CN-1231464-C Novel 3-substituted urea derivatives and pharmaceutical use thereof MITSUBISHI PHARMACEUTICAL CO L (JP) 2005-12-14 — — CN disclosed
CN-1466569-A Novel 3-substituted urea derivatives and pharmaceutical use thereof ������ҩ��ʽ���� 2004-01-07 — — CN disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 — — US disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 — — 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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 ALDH1A1 2416/4885SMN1; SMN2 1060/4885HPGD 3900/4885

“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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