SCHEMBL4451982

SCHEMBL4451982

O=c1[nH]cc(OCCCCN2CCCCC2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.57
HTR2A P28223 2/20 0.57
HTR7 P34969 2/20 0.57
HTR6 P50406 2/20 0.57
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 3/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
TRPM2 O94759 1/20 0.49
PARP1 P09874 1/20 0.49

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
SCHEMBL6575982 0.76 TSHR (0.60) HTR2ATDP1ALDH1A1CYP1A2CYP2D6
SCHEMBL5774079 0.73 HRH3 (0.53) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL8780187 0.72 TDP1 (1.00) HRH3HTR2AHTR7HTR6TDP1
Hydrochloric Acid SCHEMBL8780151 0.72 HRH3 (0.97) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL5746363 0.72 TDP1 (0.53) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL7141863 0.71 MAOB (0.41) CYP2D6KMT2AKDM4EPARP1
SCHEMBL8780201 0.71 HRH3 (0.97) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL491876 0.71 HRH3 (0.97) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL3577690 0.71 KDM4E (0.61) HRH3HTR2AHTR7HTR6TDP1
Oxalic Acid SCHEMBL8780050 0.71 HRH3 (0.83) HRH3HTR2AHTR7HTR6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9623008-B2 Targeting abnormal DNA repair in therapy-resistant breast and pancreatic cancers STC.UNM (US) 2017-04-18 US claimed
US-20160184356-A1 ARSENIC-BASED TREATMENT OF CANCERS AND INFLAMMATORY DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-30 US claimed
US-9132120-B1 Targeting abnormal DNA repair in therapy-resistant breast and pancreatic cancers STC.UNM (US) 2015-09-15 US claimed
US-20090170860-A1 Use of PARP-1 Inhibitors PHARMA MAR, S.A., SOCIEDAD UNIPERSONAL (ES) 2009-07-02 US claimed
US-20060079510-A1 Use of PARP-1 inhibitors for protecting tumorcidal lymphocytes from apoptosis MAXIM PHARMACEUTICALS, INC. 2006-04-13 US claimed
US-12551498-B2 Treatment of P53-deficient cancers HEALTH RESEARCH, INC. (US) 2026-02-17 US disclosed
US-11944615-B2 Combination therapy for treatment of LKB1 deficient cancers NEW YORK UNIVERSITY (US) 2024-04-02 US disclosed
US-20230226047-A1 COMBINATION THERAPY FOR TREATMENT OF CANCERS HEALTH RESEARCH, INC. 2023-07-20 US disclosed
US-20220249531-A1 TREATMENT OF P53-DEFICIENT CANCERS HEALTH RESEARCH, INC. 2022-08-11 US disclosed
US-20220062260-A1 COMBINATION THERAPY FOR TREATMENT OF LKB1 DEFICIENT CANCERS NEW YORK UNIVERSITY 2022-03-03 US disclosed
US-10086010-B2 Synergistic enhancement of 5-fluorouracil cytotoxicity by deoxyuridine analogs in cancer cells STC.UNM (US) 2018-10-02 US disclosed
US-20180221382-A1 INHIBITION OF MK2 IN THE TREATMENT OF CANCER UNM RAINFOREST INNOVATIONS 2018-08-09 US disclosed
US-20180125875-A1 SYNERGISTIC ENHANCEMENT OF 5-FLUOROURACIL CYTOTOXICITY BY DEOXYURIDINE ANALOGS IN CANCER CELLS THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2018-05-10 US disclosed
US-9623008-B2 Targeting abnormal DNA repair in therapy-resistant breast and pancreatic cancers STC.UNM (US) 2017-04-18 US disclosed
US-20160184356-A1 ARSENIC-BASED TREATMENT OF CANCERS AND INFLAMMATORY DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-30 US disclosed
US-9132120-B1 Targeting abnormal DNA repair in therapy-resistant breast and pancreatic cancers STC.UNM (US) 2015-09-15 US disclosed
EP-2389589-B1 METHODS OF DIAGNOSING AND TREATING MULTIPLE SCLEROSIS BRIGHAM & WOMENS HOSPITAL (US) 2015-08-12 EP disclosed
US-20140343095-A1 Methods of Diagnosing and Treating Multiple Sclerosis THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2014-11-20 US disclosed
US-20090170860-A1 Use of PARP-1 Inhibitors PHARMA MAR, S.A., SOCIEDAD UNIPERSONAL (ES) 2009-07-02 US disclosed
US-20060079510-A1 Use of PARP-1 inhibitors for protecting tumorcidal lymphocytes from apoptosis MAXIM PHARMACEUTICALS, INC. 2006-04-13 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 (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-20180221382-A1 INHIBITION OF MK2 IN THE TREATMENT OF CANCER MKNK2, MKNK1, DUSP2 HRH3 4059/4885HTR2A 3818/4885HTR7 4445/4885
US-12551498-B2 Treatment of P53-deficient cancers TP53, BRCA1, PARP2 HRH3 2217/4885HTR2A 334/4885HTR7 1846/4885

“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.