SCHEMBL6317405

SCHEMBL6317405

[O-][n+]1ccc(Cc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.60
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42
LTA4H P09960 3/20 0.41
LMNA P02545 3/20 0.41
IDH1 O75874 1/20 0.40
KCNH3 Q9ULD8 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PLA2G10 O15496 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
SCHEMBL2259203 0.81 GPR84 (0.50) CYP3A4CYP2C19SMN1; SMN2KCNH3
SCHEMBL8124865 0.79 CALM1 (0.52) CALM1MEN1KMT2ALTA4H
Diphenylmethane SCHEMBL28172316 0.78 CALM1 (1.00) CALM1CYP3A4ALDH1A1KDM4EMAPT
Diphenylmethane SCHEMBL3792579 0.78 CALM1 (1.00) CALM1CYP3A4ALDH1A1KDM4EMAPT
Diphenylmethane SCHEMBL4361124 0.78 CALM1 (1.00) CALM1CYP3A4ALDH1A1KDM4EMAPT
Diphenylmethane SCHEMBL1303 0.78 CALM1 (1.00) CALM1CYP3A4ALDH1A1KDM4EMAPT
Diphenylmethane SCHEMBL14763944 0.78 CALM1 (1.00) CALM1CYP3A4ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL4811336 0.77 CALM1 (0.63) CALM1ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL9923540 0.76 SRD5A2 (0.41) CYP3A4CYP2C19ALDH1A1SMN1; SMN2LTA4H
SCHEMBL10256785 0.75 CALM1 (0.60) CALM1CYP3A4ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200040025-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2020-02-06 US disclosed
EP-3515447-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE Tufts University (US) 2019-07-31 EP disclosed
WO-2018058148-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY (US) 2018-03-29 WO disclosed
US-6887646-B1 Chemical amplification resist composition MITSUBISHI RAYON CO., LTD. (JP) 2005-05-03 US disclosed
US-20050010048-A1 Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors ZHUANG LINGHANG (US) 2005-01-13 US disclosed
EP-1333831-A2 AZA-AND POLYAZA-NAPHTHALENYL KETONES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-08-13 EP disclosed
US-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2003-07-31 US disclosed
US-6534522-B2 E.g.,N-((4-amino-3-nitrophenoxy)ethyl)-1,2,3,4-tetrahydro -isoquinoline; stroke; antiischemic agents; CNS trauma, hyperglycemic agents; surgery; neurodegenerative diseases including Alzheimer's disease, amyotrophic lateral sclerosis WARNER-LAMBERT COMPANY 2003-03-18 US disclosed
US-6465495-B1 INHIBITING DISEASE STATES ASSOCIATED WITH PROTEIN PROTEIN INTERACTION MEDIATED BY A SH2 OR SH3 DOMAIN OR A TYROSINE PHOSPHATASE SUCH AS ALLERGIES, ASTHMA, ANEMIA, AUTOIMMUNE DISEASES, CANCER, INFLAMMATORY DISEASES, OSTEOPOROSIS OSI PHARMACEUTICALS, INC. 2002-10-15 US disclosed
EP-1209525-A1 CHEMICAL AMPLIFICATION RESIST COMPOSITION Mitsubishi Rayon Co., Ltd. (JP) 2002-05-29 EP disclosed
WO-2002036734-A2 AZA-AND POLYAZA-NAPHTHALENYL KETONES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-05-10 WO disclosed
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2001-12-13 US disclosed
US-6218404-B1 THERAPY AND PROPHYLAXIS OF NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CNS TRAUMA, HYPOGLYCEMIA AND SURGERY, NEURO-DEGENERATIVE DISEASES INCLUDING ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, HUNTINGTON'S DISEASE WARNER-LAMBERT CO. 2001-04-17 US disclosed
WO-1997023458-A1 SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1997-07-03 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-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 CALM1 1094/4885CYP3A4 3339/4885CYP2C19 2548/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 CALM1 1094/4885CYP3A4 3339/4885CYP2C19 2548/4885
US-20050010048-A1 Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors POLI, CYP51A1, DUT CALM1 4584/4885CYP3A4 269/4885CYP2C19 940/4885
US-20200040025-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS CALM1 1612/4885CYP3A4 3975/4885CYP2C19 2788/4885

“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.