SCHEMBL457779

SCHEMBL457779

CCCCCCCCCCCCOCCCNC(=N)NC(=N)NCc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ S1PR2 O95136 2/20 0.36
▸ S1PR1 P21453 2/20 0.36
▸ S1PR3 Q99500 2/20 0.36
▸ LPAR2 Q9HBW0 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL8897418 0.90 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL8895813 0.90 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL8895934 0.90 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL8895770 0.89 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL8899651 0.89 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL8894995 0.89 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL11121258 0.77 MAPT (0.46) THRBMEN1KMT2AFAAH
SCHEMBL11120615 0.77 MAPT (0.46) THRBMEN1KMT2AFAAH
Hydrochloric Acid SCHEMBL4476184 0.77 L3MBTL1 (0.49) ALDH1A1HPGDLMNACHRM2CYP2C19
Hydrochloric Acid SCHEMBL4460799 0.77 L3MBTL1 (0.49) ALDH1A1HPGDLMNACHRM2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220030860-A1 THERAPEUTIC COMPOSITION AND RELATED METHODS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2022-02-03 — — US disclosed
EP-3833186-A1 THERAPEUTIC COMPOSITION AND RELATED METHODS 3M Innovative Properties Company (US) 2021-06-16 — — EP disclosed
WO-2020031065-A1 THERAPEUTIC COMPOSITION AND RELATED METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-02-13 — — WO disclosed
US-9565857-B2 Antimicrobial solutions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-02-14 — — US disclosed
US-20130231302-A1 ANTIMICROBIAL SOLUTIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-09-05 — — US disclosed
US-8450294-B2 Shampoo compositions LUBRIZOL ADVANCED MATERIALS, INC. (US) 2013-05-28 — — US disclosed
WO-2012034032-A2 ANTIMICROBIAL SOLUTIONS THE BOARD OF REGENTS OF UNBIVERSITY OF TEXAS SYSTEM (US) 2012-03-15 — — WO disclosed
US-20090318571-A1 Hydrocolloids and Process Therefor LUBRIZOL ADVANCED MATERIALS, INC. (US) 2009-12-24 — — US disclosed
EP-1841402-B9 PROCESS FOR PREPARING HYDROCOLLOIDS LUBRIZOL ADVANCED MAT INC (US) 2009-09-16 — — EP disclosed
US-20090137438-A1 Hydrocolloids and Process Therefor LUBRIZOL ADVANCED MATERIALS, INC. 2009-05-28 — — US disclosed
EP-1135100-A4 ORAL CARE COMPOSITIONS COMPRISING COENZYME Q 10? PHARMA INC Q (US) 2002-07-17 — — EP disclosed
EP-0911022-B1 Ultramild antibacterial cleaning composition for frequent use UNILEVER NV (NL) 2002-03-27 — — EP disclosed
EP-1135100-A1 ORAL CARE COMPOSITIONS COMPRISING COENZYME Q 10? Q-Pharma, Inc. (US) 2001-09-26 — — EP disclosed
US-6200550-B1 Oral care compositions comprising coenzyme Q10 Q-PHARMA, INC. 2001-03-13 — — US disclosed
WO-2000033802-A1 ORAL CARE COMPOSITIONS COMPRISING COENZYME Q¿10? Q-PHARMA, INC. (US) 2000-06-15 — — WO disclosed
EP-0987321-A2 Ultramild antibacterial cleaning composition for frequent use UNILEVER N.V. (NL) 2000-03-22 — — EP disclosed
EP-0911022-A1 Ultramild antibacterial cleaning composition for frequent use UNILEVER N.V. (NL) 1999-04-28 — — EP disclosed
EP-0616521-A1 ORAL COMPOSITIONS FOR INHIBITING PLAQUE AND CALCULUS FORMATION THE DOW CHEMICAL COMPANY (US) 1994-09-28 — — EP disclosed
WO-1993011741-A1 ORAL COMPOSITIONS FOR INHIBITING PLAQUE AND CALCULUS FORMATION THE DOW CHEMICAL COMPANY (US) 1993-06-24 — — WO disclosed
EP-0372603-A2 Antibacterial oral composition Colgate-Palmolive Company (US) 1990-06-13 — — EP 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 (2 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-20130231302-A1 ANTIMICROBIAL SOLUTIONS UGCG, GANAB, GANC KDM4E 1145/4885THRB 4551/4885TDP1 2631/4885
US-20090137438-A1 Hydrocolloids and Process Therefor ALG1, GYPA, HSD17B7 KDM4E 2931/4885THRB 3916/4885TDP1 3741/4885

“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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