SCHEMBL601668

SCHEMBL601668

C1=Cc2nc1c(-c1ccccn1)c1ccc([nH]1)c(-c1ccccn1)c1nc(c(-c3ccccn3)c3ccc([nH]3)c2-c2ccccn2)C=C1.[Fe]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ METAP1 P53582 3/20 0.45
▸ CCR1 P32246 2/20 0.45
▸ CCR5 P51681 2/20 0.45
▸ CCR8 P51685 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ DOHH Q9BU89 1/20 0.45
▸ P4HTM Q9NXG6 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ METAP2 P50579 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ TERT O14746 3/20 0.44

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
SCHEMBL29822398 0.98 KDM4E (0.46) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL432185 0.98 KDM4E (0.46) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL7571347 0.96 KDM4E (0.45) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL9418754 0.96 KDM4E (0.45) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL599851 0.96 KDM4E (0.45) KDM4ELMNAMETAP1CCR1CCR5
Magnesium SCHEMBL9418766 0.96 KDM4E (0.45) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL29560659 0.96 KDM4E (0.45) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL29560256 0.95 METAP1 (0.44) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL31439451 0.92 CCR1 (0.42) KDM4ELMNAMETAP1CCR1CCR5
SCHEMBL25395411 0.90 TOP1 (0.51) SMN1; SMN2TERTHTTTOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120039987-A1 NIOSOME HAVING METAL PORPHYRIN COMPLEX EMBEDDED THEREIN, PROCESS FOR PRODUCING THE SAME AND DRUG WITH THE USE THEREOF MAKOTO YUASA (JP) 2012-02-16 — — US disclosed
US-20080269184-A1 Niosome Having Metal Porphyrin Complex Embedded Therein, Process For Producing The Same And Drug With The Use Thereof YUASA, MAKOTO (JP) 2008-10-30 — — US disclosed
EP-1731150-A1 NIOSOME HAVING METAL PORPHYRIN COMPLEX EMBEDDED THEREIN, PROCESS FOR PRODUCING THE SAME AND DRUG WITH THE USE THEREOF Yuasa, Makoto (JP) 2006-12-13 — — 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 (2 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-20120039987-A1 NIOSOME HAVING METAL PORPHYRIN COMPLEX EMBEDDED THEREIN, PROCESS FOR PRODUCING THE SAME AND DRUG WITH THE USE THEREOF SOD1, SOD3, GPX1 KDM4E 4003/4885LMNA 2818/4885METAP1 663/4885
US-20080269184-A1 Niosome Having Metal Porphyrin Complex Embedded Therein, Process For Producing The Same And Drug With The Use Thereof SOD1, SOD3, GPX1 KDM4E 3971/4885LMNA 2832/4885METAP1 679/4885

“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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