SCHEMBL4410148

SCHEMBL4410148

C1=CC2=C(c3ccccc3)C3=NC(=C(c4ccccn4)C4=NC(=C(c5ccccn5)C5=NC(=C(c6ccccc6)C1=N2)C=C5)C=C4)C=C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.43
▸ LMNA P02545 6/20 0.43
▸ CCR1 P32246 2/20 0.43
▸ CCR5 P51681 2/20 0.43
▸ CCR8 P51685 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ METAP1 P53582 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ DOHH Q9BU89 1/20 0.43
▸ P4HTM Q9NXG6 1/20 0.43
▸ CYP2A6 P11509 1/20 0.41
▸ RAB9A P51151 8/20 0.39
▸ NPC1 O15118 7/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ TP53 P04637 5/20 0.39
▸ PKM P14618 3/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38

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
SCHEMBL4409178 1.00 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4413920 1.00 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4407509 1.00 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL599823 0.91 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18795855 0.90 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL14562749 0.83 ALDH1A1 (0.35) KDM4ELMNARAB9ANPC1SMN1; SMN2
SCHEMBL27979361 0.83 ALDH1A1 (0.35) KDM4ELMNARAB9ANPC1SMN1; SMN2
SCHEMBL7996476 0.83 ALDH1A1 (0.35) KDM4ELMNARAB9ANPC1SMN1; SMN2
SCHEMBL2517442 0.83 ALDH1A1 (0.35) KDM4ELMNARAB9ANPC1SMN1; SMN2
SCHEMBL28180007 0.83 ALDH1A1 (0.35) KDM4ELMNARAB9ANPC1SMN1; SMN2

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-8071760-B2 Boron-containing porphyrin compounds and their uses BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2011-12-06 — — US disclosed
US-20090318680-A1 Boron-Containing Porphyrin Compounds and Their Uses BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2009-12-24 — — 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-20090318680-A1 Boron-Containing Porphyrin Compounds and Their Uses HMBS, HCCS, PPOX KDM4E 4200/4885LMNA 1464/4885CCR1 4137/4885

“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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