SCHEMBL548400

SCHEMBL548400

CCC(NC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)NC(CC)N4CCOCC4)cc3)o2)cc1)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CD274 Q9NZQ7 4/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2D6 P10635 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
Hydrochloric Acid SCHEMBL5963672 0.99 KMT2A (0.44) KMT2AMAPTTSHRSMN1; SMN2POLB
SCHEMBL3324923 0.79 CA2 (0.53) KMT2AKDM4E
SCHEMBL10723762 0.74 HPGD (0.54) KMT2AMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL10756639 0.73 HTT (0.64) MAPTSMN1; SMN2POLBHRH3KDM4E
SCHEMBL10720853 0.72 ALDH1A1 (0.54) KMT2AMAPTTSHRSMN1; SMN2POLB
SCHEMBL10720324 0.72 MAPT (0.51) MAPTTSHRSMN1; SMN2POLBALDH1A1
SCHEMBL15732428 0.71 ALDH1A1 (0.45) KMT2AMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL10724027 0.70 TAS1R3 (0.58) KMT2AMAPTSMN1; SMN2POLBKDM4E
SCHEMBL8939923 0.70 ALDH1A1 (0.47) KMT2AMAPTTSHRSMN1; SMN2POLB
SCHEMBL2691456 0.70 ALDH1A1 (0.44) KMT2AMAPTTSHRSMN1; SMN2ALDH1A1

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 US claimed
EP-1651211-A4 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX INC (US) 2006-11-22 EP claimed
EP-1651211-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2006-05-03 EP claimed
EP-1545544-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2005-06-29 EP claimed
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2005-04-14 US claimed
WO-2005020913-A2 FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-10 WO claimed
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms COMINATORX, INCORPORATED 2005-03-10 US claimed
WO-2005011572-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-02-10 WO claimed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 US claimed
WO-2004006842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
EP-1891013-B1 TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-07-23 EP disclosed
US-8524732-B2 Substituted tetrahydroquinolines MERCK PATENT GMBH (DE) 2013-09-03 US disclosed
EP-2121700-B1 SUBSTITUTED TETRAHYDROQUINOLINES MERCK PATENT GMBH (DE) 2012-10-03 EP disclosed
US-8207345-B2 Antitumor agents; use in combination with other drugs such as pentamidine MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
WO-2005011572-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-02-10 WO disclosed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 US disclosed
WO-2004006842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO disclosed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO disclosed
WO-2004002430-A2 COMBINATIONS FOR THE TREATMENT OF FUNGAL INFECTIONS COMBINATORX INCORPORATED (US) 2004-01-08 WO 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-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 KMT2A 770/4885MAPT 790/4885TSHR 931/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC KMT2A 1679/4885MAPT 4349/4885TSHR 2398/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR KMT2A 1305/4885MAPT 4795/4885TSHR 1563/4885

“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.