SCHEMBL1596068

SCHEMBL1596068

CC(=O)c1c2nc(cc3ccc([nH]3)c(C(C)=O)c3nc(cc4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ BRD4 O60885 5/20 0.33
▸ TOP1 P11387 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYCS P99999 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL351897 0.97 STAT3 (0.45) STAT3STAT1BRD4TOP1MAPT
SCHEMBL1597373 0.95 STAT3 (0.43) STAT3STAT1BRD4TOP1MAPT
SCHEMBL351526 0.95 STAT3 (0.43) STAT3STAT1BRD4TOP1MAPT
SCHEMBL9095058 0.90 STAT3 (0.45) STAT3STAT1BRD4MAPTALOX15
SCHEMBL5445020 0.85 STAT3 (0.36) STAT3STAT1
SCHEMBL6412535 0.84 ABCG2 (0.45) STAT3STAT1BRD4MAPTABCG2
SCHEMBL3125425 0.84 STAT3 (0.49) STAT3STAT1TOP1CYCS
SCHEMBL6094135 0.82 STAT3 (0.45) STAT3STAT1TOP1
SCHEMBL5034725 0.82 STAT3 (0.47) STAT3STAT1TOP1ABCG2HSD17B10
SCHEMBL16673442 0.81 STAT3 (0.44) STAT3STAT1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420804-B2 Formyl- and acetal-porphyrins bearing tripodal linking groups NORTH CAROLINA STATE UNIVERSITY (US) 2013-04-16 — — US claimed
US-20110152515-A1 NEW ROUTE TO FORMYL-PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-23 — — US claimed
US-20090137795-A1 NEW ROUTE TO FORMYL-PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2009-05-28 — — US claimed
US-7501507-B2 Route to formyl-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2009-03-10 — — US claimed
US-20050277770-A1 condensing a 5-acetaldipyrromethane with a dipyrromethane-1,9-dicarbinol to produce a porphyrin having an acetal group substituted thereon at the 5 position; and then hydrolyzing said porphyrin to produce said 5-formylporphyrin NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-12-15 — — US claimed
US-8420804-B2 Formyl- and acetal-porphyrins bearing tripodal linking groups NORTH CAROLINA STATE UNIVERSITY (US) 2013-04-16 — — US disclosed
US-20110152515-A1 NEW ROUTE TO FORMYL-PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-23 — — US disclosed
US-7919615-B2 Route to formyl-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2011-04-05 — — US disclosed
US-20090137795-A1 NEW ROUTE TO FORMYL-PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2009-05-28 — — US disclosed
US-7501507-B2 Route to formyl-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2009-03-10 — — US disclosed
US-20050277770-A1 condensing a 5-acetaldipyrromethane with a dipyrromethane-1,9-dicarbinol to produce a porphyrin having an acetal group substituted thereon at the 5 position; and then hydrolyzing said porphyrin to produce said 5-formylporphyrin NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-12-15 — — 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 (3 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-20090137795-A1 NEW ROUTE TO FORMYL-PORPHYRINS PPOX, DHPS, FDPS STAT3 3755/4885STAT1 3957/4885BRD4 3238/4885
US-20110152515-A1 NEW ROUTE TO FORMYL-PORPHYRINS PPOX, ALAD, UROD STAT3 4123/4885STAT1 4328/4885BRD4 3068/4885
US-20050277770-A1 condensing a 5-acetaldipyrromethane with a dipyrromethane-1,9-dicarbinol to produce a porphyrin having an acetal group substituted thereon at the 5 position; and then hydrolyzing said porphyrin to produce said 5-formylporphyrin DHPS, NOTUM, DOHH STAT3 4298/4885STAT1 4505/4885BRD4 3073/4885

“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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