SCHEMBL3649876

SCHEMBL3649876

COc1ccc(CC([NH])=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.58
CTBP2 P56545 1/20 0.56
EPHX2 P34913 1/20 0.54
LDHA P00338 1/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
F2RL1 P55085 1/20 0.52
MAPT P10636 1/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL3628705 0.83 HTT (0.68) HTTSMN1; SMN2CTBP2LDHAALDH1A1
SCHEMBL240822 0.81 KDM4E (0.74) HTTSMN1; SMN2CTBP2LDHAALDH1A1
SCHEMBL1525068 0.81 HTT (0.66) HTTSMN1; SMN2CTBP2LDHAALDH1A1
SCHEMBL48525 0.81 HTT (0.66) HTTSMN1; SMN2CTBP2LDHAALDH1A1
SCHEMBL28709451 0.81 HTT (0.66) HTTSMN1; SMN2CTBP2LDHAALDH1A1
SCHEMBL10969285 0.81 ALDH1A1 (0.55) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
SCHEMBL2487562 0.80 F2RL1 (0.68) SMN1; SMN2ALDH1A1KDM4EPOLBF2RL1
SCHEMBL11531056 0.80 LMNA (0.53) SMN1; SMN2ALDH1A1CYP3A4TP53KDM4E
SCHEMBL6709316 0.80 NQO1 (0.54) SMN1; SMN2ALDH1A1CYP2C19KDM4EPOLB
SCHEMBL226124 0.79 HTT (0.63) HTTSMN1; SMN2CTBP2LDHAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2182950-B1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LTD (GB) 2017-07-19 EP claimed
US-20060106037-A1 Purin-6-one-derivatives ALTANA PHARMA AG (DE) 2006-05-18 US claimed
EP-1601675-A1 PURIN-6-ONE-DERIVATIVES ALTANA Pharma AG (DE) 2005-12-07 EP claimed
WO-2004089953-A1 PURIN-6-ONE-DERIVATIVES ALTANA PHARMA AG (DE) 2004-10-21 WO claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
EP-2182950-B1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LTD (GB) 2017-07-19 EP disclosed
US-8759348-B2 Use of 4-(pyrrolidin-1-yl)quinoline compounds to kill clinically latent microorganisms HELPERBY THERAPEUTICS LIMITED (GB) 2014-06-24 US disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-20100305065-A1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2010-12-02 US disclosed
EP-2182950-A1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS Helperby Therapeutics Limited (GB) 2010-05-12 EP disclosed
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-4166816-A CYCLIZATION SMITHKLINE CORPORATION (US) 1979-09-04 US disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed
US-4133808-A 4-(Formylthio)azetidinones and ozonization process therefor ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed
US-4072674-A FOR CEPHALOSPORIN CONGENERS SMITHKLINE CORPORATION (US) 1978-02-07 US disclosed
US-4048157-A 4(Formylthio)-azetidin-2-ones and ozonization process therefor ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4031084-A Process for cephalosporin antibiotic intermediates ELI LILLY AND COMPANY (US) 1977-06-21 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 (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-20100305065-A1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS ARG1, LPO, CTSL HTT 3747/4885SMN1; SMN2 4312/4885CTBP2 4595/4885
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 HTT 2287/4885SMN1; SMN2 2635/4885CTBP2 956/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 HTT 1599/4885SMN1; SMN2 2022/4885CTBP2 1195/4885
US-20060106037-A1 Purin-6-one-derivatives PDE4B, PDE4A, PDE2A HTT 3784/4885SMN1; SMN2 2626/4885CTBP2 3253/4885

“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.