SCHEMBL17438482

SCHEMBL17438482

O=C(c1ccncc1O)N1CCCC1.O=C(c1ccncc1O)N1CCCC1.O=C(c1ccncc1O)N1CCCC1.[Fe]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HSP90AA1 P07900 2/20 0.45
CYP2C9 P11712 2/20 0.43
HPGD P15428 5/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.41
RECQL P46063 1/20 0.41
USP2 O75604 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL17438783 0.98 KDM4E (0.48) KDM4EPOLBGAAMAPTHSP90AA1
SCHEMBL16115677 0.98 KDM4E (0.46) KDM4EPOLBGAAMAPTHSP90AA1
SCHEMBL17438763 0.97 KDM4E (0.49) KDM4EPOLBGAAMAPTHSP90AA1
SCHEMBL17438946 0.86 HSP90AA1 (0.49) KDM4EGAAMAPTHSP90AA1HPGD
SCHEMBL16115398 0.84 HSP90AA1 (0.50) KDM4EGAAMAPTHSP90AA1HPGD
SCHEMBL7456642 0.80 ALDH1A1 (0.56) KDM4EGAAMAPTCYP2C9HPGD
SCHEMBL10272980 0.80 GAA (0.47) KDM4EPOLBGAACYP2C9HPGD
SCHEMBL8257601 0.79 HPGD (0.54) KDM4EPOLBCYP2C9HPGDALDH1A1
SCHEMBL24568978 0.77 HPGD (0.51) KDM4EPOLBHSP90AA1CYP2C9HPGD
SCHEMBL15402417 0.77 ALDH1A1 (0.56) KDM4EPOLBGAAMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9248134-B1 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-02-02 US disclosed
US-20160015716-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-01-21 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-20160015716-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 KDM4E 4014/4885POLB 1821/4885GAA 215/4885

“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.