SCHEMBL6086983

SCHEMBL6086983

Clc1ccc(Cn2ccc3ccccc32)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.64
KMT2A Q03164 2/20 0.60
PLAU P00749 1/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
CCR2 P41597 3/20 0.51
CDK4 P11802 4/20 0.50
CCND1 P24385 4/20 0.50
SIGMAR1 Q99720 1/20 0.49
DBH P09172 1/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL30081896 1.00 HTR6 (0.64) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL28021795 0.86 HTR6 (0.59) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL31257891 0.86 HTR6 (0.59) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL2247137 0.83 HTR6 (0.72) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL29459650 0.83 HTR6 (0.72) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL28781648 0.83 HTR6 (0.55) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL6085680 0.81 HTR6 (0.65) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL31021 0.81 HTR6 (0.73) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL29509279 0.81 HTR6 (0.73) HTR6KMT2APLAUHDAC1HDAC2
SCHEMBL6085311 0.81 HTR6 (0.59) HTR6KMT2APLAUHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298003-B1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2023-04-19 EP disclosed
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
CN-109020976-B Pyrimidotriazole-indole-containing compound and preparation method and application thereof 郑州大学 2020-04-17 CN disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 US disclosed
CN-109020976-A Pyrimido triazole-Benzazole compounds and its preparation method and application 郑州大学 2018-12-18 CN disclosed
CN-107849015-A benzimidazole derivatives as PAD4 inhibitors 葛兰素知识产权发展有限公司 2018-03-27 CN disclosed
US-6987122-B2 2-(1H-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2006-01-17 US disclosed
EP-1244652-B1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY CELL THERAPEUTICS EUROPE SRL (IT) 2005-08-24 EP disclosed
US-6753342-B2 ANTICARCINOGENIC AGENTS FOR LUNG AND COLON CANCER TREATMENT NOVUSPHARMA S.P.A. (IT) 2004-06-22 US disclosed
US-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2004-02-12 US disclosed
US-20030158153-A1 2-(1h-indol-3-yl)-2-oxo-acetamides containing a thiophene or furan ring; anticarcinogenic agents particular against solid tumors of colon and lung NOVUSPHARMA S.P.A. (IT) 2003-08-21 US disclosed
EP-1322646-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2003-07-02 EP disclosed
EP-1244652-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY Cell Therapeutics Europe S.R.L. (IT) 2002-10-02 EP disclosed
WO-2002008225-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2002-01-31 WO disclosed
WO-2001047916-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2001-07-05 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 (4 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-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 HTR6 4587/4885KMT2A 1974/4885PLAU 2764/4885
US-20030158153-A1 2-(1h-indol-3-yl)-2-oxo-acetamides containing a thiophene or furan ring; anticarcinogenic agents particular against solid tumors of colon and lung IDO2, IDO1, TXNRD2 HTR6 2619/4885KMT2A 1607/4885PLAU 4791/4885
US-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity IDO1, AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTR6 2122/4885KMT2A 453/4885PLAU 4391/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 HTR6 4587/4885KMT2A 1974/4885PLAU 2764/4885

“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.