SCHEMBL6630911

SCHEMBL6630911

CC(=O)Nc1ccc2cccc(N)c2c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.59
▸ HPGD P15428 3/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ MAPT P10636 2/20 0.59
▸ HDAC1 Q13547 4/20 0.45
▸ HDAC3 O15379 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ NPC1 O15118 3/20 0.39
▸ CASP6 P55212 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ GAA P10253 2/20 0.37
▸ GLA P06280 1/20 0.37

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
SCHEMBL5516360 0.79 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EMAPTHDAC1
SCHEMBL5054452 0.75 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EMAPTHDAC1
SCHEMBL29581351 0.75 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EMAPTHDAC1
SCHEMBL20726340 0.74 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTHDAC1
SCHEMBL8333925 0.73 ALDH1A1 (0.97) ALDH1A1HPGDKDM4EMAPTHDAC1
SCHEMBL8333926 0.73 ALDH1A1 (0.97) ALDH1A1HPGDKDM4EMAPTHDAC1
SCHEMBL9745919 0.72 ALDH1A1 (0.71) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL463597 0.71 ALDH1A1 (0.61) ALDH1A1HPGDHDAC1HDAC3HDAC2
SCHEMBL29904721 0.71 ALDH1A1 (0.61) ALDH1A1HPGDHDAC1HDAC3HDAC2
SCHEMBL11787125 0.71 JAK2 (0.37) ALDH1A1HPGDKDM4EMAPTCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5830931-A DYEING SYNTHETIC HYDROPHOBIC MATERIAL BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 — — US claimed
US-6833455-B2 Coloring plastics BAYER AKTIENGESELLSCHAFT (DE) 2004-12-21 — — US disclosed
EP-1314754-B1 Bridged Perinones/Quinophtalones BAYER CHEMICALS AG (DE) 2004-09-22 — — EP disclosed
US-20030139498-A1 Bridged perinones/quinophthalones BAYER AKTIENGESELLSCHAFT (DE) 2003-07-24 — — US disclosed
EP-1118640-B1 Bridged perinone, quinophthalone and perinone-quinophthalone BAYER AG (DE) 2003-07-23 — — EP disclosed
EP-1314754-A1 Bridged Perinones/Quinophtalones Bayer Aktiengesellschaft (DE) 2003-05-28 — — EP disclosed
EP-0827986-B1 Bridged perinone, quinophthalone and perinone-quinophthalone BAYER AG (DE) 2002-03-27 — — EP disclosed
EP-0780444-B1 Process to manufacture polycyclic compounds BAYER AG (DE) 2001-09-05 — — EP disclosed
EP-1118640-A1 Bridged perinone, quinophthalone and perinone-quinophthalone BAYER AG (DE) 2001-07-25 — — EP disclosed
US-5955614-A Bridged perinones/quinophthalones BAYER AKTIENGESELLSCHAFT (DE) 1999-09-21 — — US disclosed
US-5830931-A DYEING SYNTHETIC HYDROPHOBIC MATERIAL BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 — — US disclosed
EP-0827986-A2 Bridged perinone, quinophthalone and perinone-quinophthalone BAYER AG (DE) 1998-03-11 — — EP disclosed
EP-0780444-A2 Process to manufacture polycyclic compounds BAYER AG (DE) 1997-06-25 — — EP disclosed
US-5621027-A Dyestuffs for bulk dyeing plastics BAYER AKTIENGESELLSCHAFT (DE) 1997-04-15 — — US disclosed
US-5530130-A DYEING PLASTICS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 — — US disclosed
EP-0683212-A1 New dyes for the bulk dyeing of synthetic materials BAYER AG (DE) 1995-11-22 — — EP disclosed
EP-0639624-A1 Phthaloperinone dyestuffs BAYER AG (DE) 1995-02-22 — — EP disclosed
US-4024144-A SULFONIC ACID GROUPS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 — — 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-20030139498-A1 Bridged perinones/quinophthalones CYP11B1, CYP1B1, CYP11B2 ALDH1A1 310/4885HPGD 553/4885KDM4E 3339/4885

“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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