SCHEMBL6629381

SCHEMBL6629381

Nc1cccc2ccc(Cl)c(N)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.42
ALDH1A1 P00352 7/20 0.42
CYP3A4 P08684 5/20 0.42
HSD17B10 Q99714 5/20 0.42
HPGD P15428 5/20 0.42
CYP1A2 P05177 3/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
JAK2 O60674 1/20 0.41
RPS6KA3 P51812 1/20 0.41
MELK Q14680 1/20 0.41
STK24 Q9Y6E0 1/20 0.41
NR4A2 P43354 1/20 0.40
TYMS P04818 1/20 0.39
KEAP1 Q14145 1/20 0.38
PIK3CA P42336 1/20 0.37
MET P08581 1/20 0.36
CYP2A6 P11509 2/20 0.35
THRB P10828 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL8824402 0.82 GAA (0.50) TSHRALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL30064915 0.79 TSHR (0.52) TSHRALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL7752251 0.79 ALDH1A1 (0.48) TSHRALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL4076360 0.79 TSHR (0.52) TSHRALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL14742902 0.78 ALDH1A1 (0.59) TSHRALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL29349435 0.75 JAK2 (0.54) TSHRALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL65699 0.75 JAK2 (0.54) TSHRALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL6629658 0.75 TSHR (0.38) TSHRALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL6185564 0.74 CD44 (0.54) TSHRALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL5374043 0.74 CDK2 (0.42) TSHRALDH1A1CYP3A4HSD17B10HPGD

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 21 patents — showing the first 20. 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-0822804-A1 HAIR COLORANTS BASED ON PERIMIDINE DERIVATIVES Clariant GmbH (DE) 1998-02-11 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
WO-1996033692-A1 HAIR COLORANTS BASED ON PERIMIDINE DERIVATIVES CLARIANT GMBH (DE) 1996-10-31 WO 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 TSHR 3697/4885ALDH1A1 310/4885CYP3A4 81/4885

“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.