SCHEMBL4514998

SCHEMBL4514998

CN(Cc1cccc(C(=O)O)c1)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ MITF O75030 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ XBP1 P17861 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ MRGPRX4 Q96LA9 7/20 0.49
▸ MEP1B Q16820 3/20 0.48
▸ MEP1A Q16819 2/20 0.47
▸ FOLH1 Q04609 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PTK2B Q14289 1/20 0.45

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
SCHEMBL4490305 0.85 LOXL2 (0.52) SMN1; SMN2NPC1HPGDRAB9AMRGPRX4
SCHEMBL10766037 0.84 MEN1 (0.58) MEN1KMT2AHPGDLMNA
SCHEMBL10433003 0.80 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL168738 0.77 FOLH1 (0.59) MEN1KMT2ASMN1; SMN2TP53NFKB1
SCHEMBL29630981 0.77 FOLH1 (0.59) MEN1KMT2ASMN1; SMN2TP53NFKB1
Hydrochloric Acid SCHEMBL15067497 0.76 FOLH1 (0.58) MEN1KMT2ASMN1; SMN2TP53NFKB1
Hydrochloric Acid SCHEMBL29690742 0.76 FOLH1 (0.58) MEN1KMT2ASMN1; SMN2TP53NFKB1
SCHEMBL2117243 0.76 SMN1; SMN2 (0.71) MEN1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL4836068 0.74 MEN1 (0.63) MEN1KMT2ANPC1RAB9AMEP1B
SCHEMBL11811255 0.74 MEP1B (0.72) MEN1KMT2AMEP1BMEP1AFOLH1

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-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 — — 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS MEN1 4180/4885KMT2A 1109/4885SMN1; SMN2 2075/4885

“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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